On Target CNR1_HUMAN 0.3548387/CHEMBL274983
For the given ligand Aprepitant, we have found in our database that, being scored 0.3548387, the most similar ligand is CHEMBL274983. Check out the elaboration below.
| Aprepitant (Given Ligand) | CHEMBL274983 (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 | CC(NC(=O)c1nc(c2ccc(Cl)cc2Cl)n(n1)c3ccc(Cl)cc3)c4ccc(Cl)cc4 |
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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 | 0000c006 00800808 c0180100 00010e00 01000040 0010c026 00c08000 0a0a3441 00400904 c0180843 0839002c 44008808 02008866 00200601 00060440 001c200c 08008000 02002622 88400000 00200000 c0100000 0800a720 21804000 0041401c 00202010 c0000640 100c8010 80021020 00000115 01661003 c4060a80 02028782 |