SCHEMBL9449929

SCHEMBL9449929

CN(C(=O)Cc1ccccc1O)C(CN1CCC(O)C1)c1ccccc1

nearest known ligand 0.80

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 14/20 0.68
CYP2D6 P10635 8/20 0.68
OPRM1 P35372 8/20 0.67
OPRD1 P41143 8/20 0.67

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 0.90 OPRK1 (0.68) OPRK1CYP2D6OPRM1OPRD1
SCHEMBL9450317 0.89 OPRK1 (0.74) OPRK1CYP2D6OPRM1OPRD1
SCHEMBL9659093 0.89 OPRK1 (0.74) OPRK1CYP2D6OPRM1OPRD1
SCHEMBL9450189 0.89 OPRK1 (0.74) OPRK1CYP2D6OPRM1OPRD1
SCHEMBL9450182 0.89 OPRK1 (0.67) OPRK1CYP2D6OPRM1OPRD1
SCHEMBL9450287 0.89 OPRK1 (0.67) OPRK1CYP2D6OPRM1OPRD1
SCHEMBL9659108 0.89 OPRK1 (0.74) OPRK1CYP2D6OPRM1OPRD1
SCHEMBL3258781 0.89 OPRK1 (0.74) OPRK1CYP2D6OPRM1OPRD1
SCHEMBL7942420 0.89 OPRK1 (0.74) OPRK1CYP2D6OPRM1OPRD1
SCHEMBL9659100 0.89 OPRK1 (0.74) OPRK1CYP2D6OPRM1OPRD1

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