SCHEMBL9659936

SCHEMBL9659936

COc1ccc(CC(=O)N(C)[C@H](CN2CC[C@H](O)C2)c2ccccc2)cc1N

nearest known ligand 0.68

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 17/20 0.65
OPRD1 P41143 14/20 0.65
OPRM1 P35372 13/20 0.65
CYP2D6 P10635 5/20 0.62

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
SCHEMBL6354156 0.86 OPRK1 (0.68) OPRK1OPRD1OPRM1CYP2D6
SCHEMBL9659818 0.86 OPRK1 (0.61) OPRK1OPRD1OPRM1CYP2D6
SCHEMBL9450361 0.86 OPRK1 (0.61) OPRK1OPRD1OPRM1CYP2D6
Hydrochloric Acid SCHEMBL5631699 0.86 OPRK1 (0.67) OPRK1OPRD1OPRM1CYP2D6
SCHEMBL9450205 0.85 OPRK1 (0.73) OPRK1OPRD1OPRM1CYP2D6
SCHEMBL9450224 0.85 OPRK1 (0.74) OPRK1OPRD1OPRM1CYP2D6
SCHEMBL9450328 0.85 OPRK1 (0.74) OPRK1OPRD1OPRM1CYP2D6
SCHEMBL9449902 0.85 OPRK1 (0.74) OPRK1OPRD1OPRM1CYP2D6
SCHEMBL9658794 0.85 OPRK1 (0.74) OPRK1OPRD1OPRM1CYP2D6
SCHEMBL9449798 0.85 OPRK1 (0.74) OPRK1OPRD1OPRM1CYP2D6

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
EP-0483580-A2 1-(2-Arylethyl)-pyrrolidine MERCK PATENT GmbH (DE) 1992-05-06 EP disclosed