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SCHEMBL11289034

SCHEMBL11289034

CSCC[C@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 6/20 0.58
▸ OPRM1 P35372 4/20 0.58
▸ NMUR2 Q9GZQ4 5/20 0.50
▸ NMUR1 Q9HB89 5/20 0.50
▸ APLNR P35414 1/20 0.49

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
SCHEMBL11289026 1.00 OPRD1 (0.58) OPRD1OPRM1NMUR2NMUR1APLNR
SCHEMBL31135242 0.89 F2 (0.58) OPRD1OPRM1NMUR2NMUR1APLNR
SCHEMBL30158799 0.89 OPRM1 (0.59) OPRD1OPRM1NMUR2NMUR1APLNR
SCHEMBL30785950 0.89 OPRM1 (0.57) OPRD1OPRM1NMUR2NMUR1APLNR
SCHEMBL30159031 0.88 NMUR2 (0.57) OPRD1OPRM1NMUR2NMUR1APLNR
SCHEMBL29679668 0.87 SLC6A2 (0.61) OPRD1OPRM1NMUR2NMUR1
SCHEMBL29816378 0.85 APLNR (0.64) OPRM1NMUR2NMUR1APLNR
SCHEMBL31191391 0.84 OPRD1 (0.53) OPRD1OPRM1NMUR2NMUR1
SCHEMBL11443809 0.84 SLC6A2 (0.67) OPRD1OPRM1NMUR2NMUR1
SCHEMBL30475368 0.83 OPRD1 (0.55) OPRD1OPRM1NMUR2NMUR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4351828-A N-Substituted cyclopeptide derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 1982-09-28 — — US disclosed
US-4237045-A N-substituted cyclopeptide derivatives and preparation thereof AMERICAN HOME PRODUCTS CORPORATION (US) 1980-12-02 — — US disclosed
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