SCHEMBL9450174

SCHEMBL9450174

CN(C(=O)Cc1ccccc1[N+](=O)[O-])[C@@H](CN1CCC(O)C1)c1ccccc1

nearest known ligand 0.75

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 14/20 0.75
CYP2D6 P10635 8/20 0.65
OPRM1 P35372 6/20 0.61
OPRD1 P41143 6/20 0.61

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
SCHEMBL9657563 1.00 OPRK1 (0.75) OPRK1CYP2D6OPRM1OPRD1
SCHEMBL9449823 1.00 OPRK1 (0.75) OPRK1CYP2D6OPRM1OPRD1
SCHEMBL9657727 1.00 OPRK1 (0.75) OPRK1CYP2D6OPRM1OPRD1
SCHEMBL6360245 1.00 OPRK1 (0.75) OPRK1CYP2D6OPRM1OPRD1
SCHEMBL9450167 1.00 OPRK1 (0.75) OPRK1CYP2D6OPRM1OPRD1
SCHEMBL9450172 1.00 OPRK1 (0.75) OPRK1CYP2D6OPRM1OPRD1
SCHEMBL5630756 0.88 OPRK1 (0.63) OPRK1CYP2D6OPRM1OPRD1
SCHEMBL5629605 0.87 OPRK1 (0.62) OPRK1CYP2D6OPRM1OPRD1
SCHEMBL5629262 0.86 OPRK1 (1.00) OPRK1CYP2D6OPRM1OPRD1
SCHEMBL8459482 0.86 OPRK1 (1.00) 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