SCHEMBL9449986

SCHEMBL9449986

COc1ccccc1CC(=O)N(C)C(CN1CCC(O)C1)c1ccccc1

nearest known ligand 0.75

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 15/20 0.73
OPRM1 P35372 8/20 0.73
OPRD1 P41143 8/20 0.73
CYP2D6 P10635 6/20 0.64

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
SCHEMBL9450024 0.87 OPRK1 (0.68) OPRK1OPRM1OPRD1CYP2D6
SCHEMBL9449929 0.87 OPRK1 (0.68) OPRK1OPRM1OPRD1CYP2D6
SCHEMBL9450182 0.86 OPRK1 (0.67) OPRK1OPRM1OPRD1CYP2D6
SCHEMBL9450317 0.86 OPRK1 (0.74) OPRK1OPRM1OPRD1CYP2D6
SCHEMBL7942420 0.86 OPRK1 (0.74) OPRK1OPRM1OPRD1CYP2D6
SCHEMBL9659093 0.86 OPRK1 (0.74) OPRK1OPRM1OPRD1CYP2D6
SCHEMBL3258781 0.86 OPRK1 (0.74) OPRK1OPRM1OPRD1CYP2D6
SCHEMBL9450189 0.86 OPRK1 (0.74) OPRK1OPRM1OPRD1CYP2D6
SCHEMBL9450287 0.86 OPRK1 (0.67) OPRK1OPRM1OPRD1CYP2D6
SCHEMBL9659108 0.86 OPRK1 (0.74) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5232978-A 1-(2-arylethyl)-pyrrolidines MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1993-08-03 US disclosed
EP-0483580-A2 1-(2-Arylethyl)-pyrrolidine MERCK PATENT GmbH (DE) 1992-05-06 EP disclosed