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Sugi Predict / Compounds / SCHEMBL11284539

SCHEMBL11284539

SCHEMBL11284539

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

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 4/20 0.52
▸ OPRD1 P41143 4/20 0.52
▸ AKT1 P31749 2/20 0.47
▸ APLNR P35414 2/20 0.46
▸ EPHA2 P29317 2/20 0.46
▸ CMA1 P23946 1/20 0.45
▸ CALCR P30988 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
SCHEMBL11284534 1.00 OPRM1 (0.52) OPRM1OPRD1AKT1APLNREPHA2
SCHEMBL29934618 0.83 OPRM1 (0.51) OPRM1OPRD1APLNR
SCHEMBL31596986 0.83 OPRM1 (0.64) OPRM1OPRD1
SCHEMBL31596868 0.83 OPRM1 (0.64) OPRM1OPRD1
SCHEMBL31612385 0.82 OPRM1 (0.61) OPRM1OPRD1
SCHEMBL30495505 0.81 OPRM1 (0.54) OPRM1OPRD1AKT1EPHA2
SCHEMBL30377344 0.79 CALCRL (0.54) APLNREPHA2CALCR
SCHEMBL30376895 0.79 CALCRL (0.54) APLNREPHA2CALCR
SCHEMBL30475332 0.79 OPRM1 (0.59) OPRM1OPRD1
SCHEMBL29743002 0.79 CALCRL (0.44) OPRM1OPRD1CALCR

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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