SCHEMBL31494987

SCHEMBL31494987

CC(C)C[C@H](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 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ GRPR P30550 10/20 0.56
▸ OPRM1 P35372 2/20 0.52
▸ OPRD1 P41143 2/20 0.52
▸ NPBWR1 P48145 4/20 0.51

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
SCHEMBL38660507 0.95 GRPR (0.58) GRPROPRM1OPRD1NPBWR1
SCHEMBL31494985 0.94 REN (0.53) GRPROPRM1OPRD1NPBWR1
SCHEMBL31223150 0.91 GRPR (0.61) GRPROPRM1OPRD1
SCHEMBL30799134 0.91 GRPR (0.58) GRPR
SCHEMBL4353652 0.91 GRPR (0.62) GRPR
SCHEMBL4353658 0.91 GRPR (0.62) GRPR
SCHEMBL20764506 0.89 GRPR (0.59) GRPROPRM1OPRD1
SCHEMBL29473455 0.89 GRPR (0.57) GRPROPRM1OPRD1NPBWR1
SCHEMBL29473430 0.89 REN (0.55) GRPROPRM1OPRD1NPBWR1
SCHEMBL30628977 0.88 GRPR (0.64) GRPR

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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