SCHEMBL9728127

SCHEMBL9728127

CCNC(=O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(C)(C)S)C(C)(C)S

nearest known ligand 0.70

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 12/20 0.70
▸ OPRD1 P41143 10/20 0.55
▸ OPRK1 P41145 5/20 0.55

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
SCHEMBL9727846 0.94 OPRM1 (0.76) OPRM1OPRD1OPRK1
SCHEMBL9728049 0.94 OPRM1 (0.76) OPRM1OPRD1OPRK1
SCHEMBL9728287 0.93 OPRM1 (0.68) OPRM1OPRD1OPRK1
SCHEMBL9728306 0.93 OPRM1 (0.67) OPRM1OPRD1OPRK1
SCHEMBL9499099 0.92 OPRM1 (0.59) OPRM1OPRD1OPRK1
SCHEMBL9728304 0.87 OPRM1 (0.66) OPRM1OPRD1OPRK1
SCHEMBL9728154 0.87 OPRM1 (0.66) OPRM1OPRD1OPRK1
SCHEMBL9728033 0.87 OPRM1 (0.66) OPRM1OPRD1OPRK1
SCHEMBL9496655 0.86 OPRM1 (0.64) OPRM1OPRD1OPRK1
SCHEMBL9499435 0.86 OPRM1 (0.64) OPRM1OPRD1OPRK1

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
US-5169833-A Analgesics G. D. SEARLE & CO. (US) 1992-12-08 — — US disclosed
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