SCHEMBL29802507

SCHEMBL29802507

C[C@H](NC(=O)[C@@H](N)Cc1c[nH]cn1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ERAP2 Q6P179 2/20 0.54
▸ ACE P12821 2/20 0.48
▸ GHSR Q92847 1/20 0.47
▸ GLP1R P43220 2/20 0.47
▸ KISS1R Q969F8 2/20 0.47
▸ ECE1 P42892 5/20 0.46
▸ GRPR P30550 1/20 0.46
▸ CTSL P07711 1/20 0.46
▸ CTSH P09668 1/20 0.46
▸ CTSS P25774 1/20 0.46
▸ CTSK P43235 1/20 0.46
▸ OPRM1 P35372 1/20 0.46
▸ OPRD1 P41143 1/20 0.46
▸ ANPEP P15144 1/20 0.46
▸ ERAP1 Q9NZ08 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL31031484 0.98 ERAP2 (0.52) ERAP2ACEGHSRGLP1RKISS1R
SCHEMBL30974109 0.94 ERAP2 (0.58) ERAP2GLP1RKISS1RECE1GRPR
SCHEMBL30988538 0.94 ERAP2 (0.56) ERAP2ACEGHSRECE1GRPR
SCHEMBL30561494 0.94 ERAP2 (0.56) ERAP2ACEGHSRECE1GRPR
SCHEMBL29588041 0.92 ERAP2 (0.60) ERAP2ACEECE1ANPEPERAP1
SCHEMBL30254445 0.90 ACE (0.53) ERAP2ACEECE1
SCHEMBL31022136 0.90 ERAP2 (0.56) ERAP2ACEECE1ERAP1
SCHEMBL29903070 0.90 ERAP2 (0.56) ERAP2ACEECE1ANPEPERAP1
SCHEMBL29470193 0.89 ACE (0.59) ACEECE1
SCHEMBL31232511 0.89 ERAP2 (0.57) ERAP2KISS1RECE1GRPRERAP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114796444-A Active composition for relieving chronic alcoholic liver injury and preparation method and application thereof 上海朗泰凯尔生物技术有限公司 2022-07-29 — — CN disclosed
Send feedback