SCHEMBL31494985

SCHEMBL31494985

CC(C)C[C@H](NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(C)C)C(=O)NO

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 6/20 0.53
▸ GRPR P30550 6/20 0.52
▸ OPRM1 P35372 2/20 0.48
▸ OPRD1 P41143 2/20 0.48
▸ NPBWR1 P48145 2/20 0.47
▸ GLP1R P43220 1/20 0.45

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
SCHEMBL29473430 0.95 REN (0.55) RENGRPROPRM1OPRD1NPBWR1
SCHEMBL29473455 0.95 GRPR (0.57) RENGRPROPRM1OPRD1NPBWR1
SCHEMBL31494987 0.94 GRPR (0.56) GRPROPRM1OPRD1NPBWR1
SCHEMBL16716014 0.91 GRPR (0.57) RENGRPR
SCHEMBL30398505 0.89 GRPR (0.64) GRPR
SCHEMBL12767725 0.89 GRPR (0.58) RENGRPRNPBWR1
SCHEMBL30118088 0.89 GRPR (0.62) RENGRPR
SCHEMBL38660507 0.89 GRPR (0.58) GRPROPRM1OPRD1NPBWR1GLP1R
SCHEMBL29484954 0.87 GRPR (0.67) GRPRGLP1R
SCHEMBL30816315 0.87 GRPR (0.63) RENGRPRGLP1R

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
WO-2025054727-A1 RADIOLABELED COMPOUNDS FOR IN VIVO IMAGING OF GASTRIN-RELEASING PEPTIDE RECEPTOR (GRPR) AND TREATMENT OF GRPR-RELATED DISORDERS PROVINCIAL HEALTH SERVICES AUTHORITY (CA) 2025-03-20 — — WO disclosed
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