On Target 5HT1A_HUMAN 0.3964497/CHEMBL1088072
For the given ligand Aprepitant, we have found in our database that, being scored 0.3964497, the most similar ligand is CHEMBL1088072. Check out the elaboration below.
| Aprepitant (Given Ligand) | CHEMBL1088072 (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 | COc1ccccc1CCCNCC2COC(O2)(c3ccccc3)c4ccccc4 |
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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 a0100108 80010600 00001090 00004004 02001800 21000200 00200900 000808e0 08301000 40008040 00000002 00090000 01081009 022c2008 10200040 02000000 00800000 00020201 00000120 18000020 17000080 08400410 00000401 e0002000 00080000 74000021 00000382 0006800a 40400000 02002600 |