The comparisons between ADV versus DW docking-scores by ranks, predicted abundant top-leads below the values of the 9990-parent including exceptionally low ADV binding-scores (Figure and Table ). To select for the best top-lead alternatives, 9990-children common the top-lead ranks for DW, ADV and LELP were graphically selected using VENN diagrams (Figure and Table ). The thresholds of DW, ADV and LELP values to be included into the VENN diagrams were optimized to result in a low practical number of top-leads, which in this work was arbitrarily set to 6. The following thresholds for the VENN comparison were optimized with the following values, i) DW docking-scores from -142 to -124, resulting in 52 top-leads, ii) DW docking-scores 0.1 to 1.3 nM, resulting in 26 top-leads and iii) LELP values from -3.6 to 2.9 (nearer to 0), resulting in 26 top-leads. Detailed study of the resulting 6 top-leads showed that only one main chemotype was predicted maintaining the common central 6-atom core with 2 Nitrogens and varying chemical structures in its three arms. Some of their molecular characteristics (Table ) and the corresponding 2D structures (Figure ) were represented. PyMol visualization of their docked complexes with the Omicron inner-cavity confirmed the crossbinding of the three α-helices (representative Figure , 4040 and not shown). LigPlus localized their amino acid ligand interactions of the corresponding docked predictions (Table ). Given their exceptional docking-scores of most of the 9990-children, the remaining unexplored chemical spaces and the difficulties to exactly reproduce randomly generated data, all the 9990-children and their predicted properties were included for any interested readers to explore further possibilities of any other top-lead selection alternatives (Table ).