SCHEMBL6547133

SCHEMBL6547133

N=C(N)NCCC[C@@H](NC(=O)[C@@H]1CCCN1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GHSR Q92847 2/20 0.51
▸ MC4R P32245 5/20 0.46
▸ NPBWR1 P48145 1/20 0.46
▸ MC1R Q01726 2/20 0.44
▸ CXCR4 P61073 1/20 0.44
▸ KISS1R Q969F8 2/20 0.44
▸ IL23R Q5VWK5 1/20 0.44
▸ CTSL P07711 2/20 0.43
▸ CTSS P25774 2/20 0.43
▸ CTSK P43235 2/20 0.43
▸ CTSH P09668 1/20 0.43
▸ BRS3 P32247 1/20 0.43

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
SCHEMBL4957456 0.96 GHSR (0.53) GHSRMC4RNPBWR1KISS1RCTSL
SCHEMBL4957536 0.95 GHSR (0.52) GHSRMC4RNPBWR1KISS1RCTSL
SCHEMBL4082307 0.95 GHSR (0.52) GHSRMC4RNPBWR1KISS1RCTSL
SCHEMBL5519060 0.94 GHSR (0.50) GHSRMC4RNPBWR1CXCR4KISS1R
SCHEMBL29531916 0.91 GHSR (0.50) GHSRMC4RNPBWR1CXCR4KISS1R
SCHEMBL31001649 0.88 GHSR (0.57) GHSRMC4RKISS1R
SCHEMBL29674951 0.88 IL23R (0.52) GHSRCXCR4IL23RCTSLCTSS
SCHEMBL29675015 0.88 IL23R (0.52) GHSRCXCR4IL23RCTSLCTSS
SCHEMBL30752452 0.87 KISS1R (0.53) GHSRNPBWR1CXCR4KISS1R
SCHEMBL2195535 0.86 GHSR (0.53) GHSRMC4RKISS1R

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
EP-0759772-B1 TRI-, TETRA-, PENTA-, AND POLYPEPTIDES AND THEIR THERAPEUTIC USE AS AN ANTIDEPRESSANT AGENT INNAPHARMA INC (US) 2004-01-21 — — EP claimed
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