SCHEMBL18375271

SCHEMBL18375271

Cc1ccc(C[C@@H](CNC(=O)NC(C)Cc2csc3ccccc23)N(C)C)cc1

nearest known ligand 0.86

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 19/20 0.86
OPRK1 P41145 14/20 0.86
OPRD1 P41143 13/20 0.86
TP53 P04637 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
RXFP1 Q9HBX9 1/20 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
SCHEMBL18374527 0.92 OPRM1 (1.00) OPRM1OPRK1OPRD1
SCHEMBL20369635 0.92 OPRM1 (1.00) OPRM1OPRK1OPRD1
SCHEMBL18374526 0.92 OPRM1 (1.00) OPRM1OPRK1OPRD1
SCHEMBL18375168 0.92 OPRM1 (1.00) OPRM1OPRK1OPRD1
SCHEMBL30072369 0.89 OPRM1 (0.80) OPRM1OPRK1OPRD1
SCHEMBL28915803 0.89 OPRM1 (0.80) OPRM1OPRK1OPRD1
SCHEMBL28915038 0.89 OPRM1 (0.80) OPRM1OPRK1OPRD1
SCHEMBL30072226 0.89 OPRM1 (0.80) OPRM1OPRK1OPRD1
SCHEMBL28915039 0.89 OPRM1 (0.80) OPRM1OPRK1OPRD1
SCHEMBL28905940 0.84 OPRM1 (0.75) OPRM1OPRK1OPRD1

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-2017007695-A1 MU OPIOID RECEPTOR MODULATORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-01-12 WO disclosed