On Target PERM_HUMAN 0.29411766/CHEMBL3910108
For the given ligand aprepitant, we have found in our database that, being scored 0.29411766, the most similar ligand is CHEMBL3910108. Check out the elaboration below.
| aprepitant (Given Ligand) | CHEMBL3910108 (Similar Ligand) |
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| C[C@@H](O[C@H]2OCCN(Cc1nc(=O)[nH][nH]1)[C@H]2c3ccc(F)cc3)c4cc(C(F)(F)F)cc(C(F)(F)F)c4 | Oc1ccccc1CNCCCc2ccccc2F |
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| 00000018 000d0008 40100100 82010e00 090000d1 00104014 00801c00 0a003441 04200900 00180870 0c211020 44008802 00008802 01011000 00261408 0228210c 18008040 02000182 04400000 40300000 00010020 08008030 33000000 00400010 10000400 c0002400 00080000 b4020001 00008306 00068002 c4540084 02002600 | 00000000 00000208 20100100 02010600 00000200 00000010 02000000 22001400 00000800 001808c0 08300000 40008000 00000802 00001000 00000400 00042008 01000200 02000000 00000000 00020201 00000104 18008000 00000000 00400010 00000000 c0000000 00000000 90000001 00000100 0006800a 24040000 00000600 |