SCHEMBL8717336

SCHEMBL8717336

Cc1ccc([C@@H](CN2CC[C@H](O)C2)N(C)C(=O)C(c2ccc(F)cc2)c2ccc(F)cc2)cc1

nearest known ligand 0.85

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 3/20 0.73
OPRM1 P35372 1/20 0.73
OPRD1 P41143 1/20 0.73
CYP2D6 P10635 2/20 0.52

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
SCHEMBL8717389 0.96 OPRK1 (0.79) OPRK1OPRM1OPRD1CYP2D6
SCHEMBL8717366 0.92 OPRK1 (0.73) OPRK1OPRM1OPRD1CYP2D6
SCHEMBL8719776 0.92 OPRK1 (0.88) OPRK1OPRM1OPRD1CYP2D6
SCHEMBL8717341 0.92 OPRK1 (0.88) OPRK1OPRM1OPRD1CYP2D6
SCHEMBL8717398 0.92 OPRK1 (0.88) OPRK1OPRM1OPRD1CYP2D6
SCHEMBL8720253 0.91 OPRK1 (0.72) OPRK1OPRM1OPRD1CYP2D6
SCHEMBL9015325 0.91 OPRK1 (0.89) OPRK1OPRM1OPRD1CYP2D6
SCHEMBL8719885 0.90 OPRK1 (0.73) OPRK1OPRM1OPRD1CYP2D6
SCHEMBL8716965 0.89 OPRK1 (0.69) OPRK1OPRM1OPRD1CYP2D6
SCHEMBL8719929 0.85 OPRK1 (0.63) OPRK1OPRM1OPRD1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0569802-B1 Arylacetamides MERCK PATENT GMBH (DE) 1998-07-15 EP disclosed
US-5532266-A Acrylacetamides MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1996-07-02 US disclosed
EP-0569802-A1 Arylacetamides MERCK PATENT GmbH (DE) 1993-11-18 EP disclosed