On Target 5HT7R_HUMAN 0.3678161/CHEMBL329566
For the given ligand Aprepitant, we have found in our database that, being scored 0.3678161, the most similar ligand is CHEMBL329566. Check out the elaboration below.
| Aprepitant (Given Ligand) | CHEMBL329566 (Similar Ligand) |
|---|---|
| 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 | CN(C)C[C@H]1C[C@H]2[C@H](O1)c3ccccc3Cc4ccccc24 |
|
|
|
|
|
|
| 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 01000008 00100502 80010700 000800d0 00004402 00101400 05000041 04100900 000818c0 08301000 40018800 00000000 01210000 000c1028 02081008 08000000 02000000 04502000 00000001 00010120 18100030 13404040 00500810 10000400 a0002201 00080000 50000000 02000283 00060802 40000000 02000700 |