SCHEMBL3431672

SCHEMBL3431672

C[C](c1ccn(C)n1)C1(c2ccccc2)CCC(c2ccccc2)(N(C)C)CC1

nearest known ligand 0.66

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 18/20 0.66
OPRM1 P35372 17/20 0.66
OPRK1 P41145 4/20 0.49

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
SCHEMBL4361350 0.80 OPRM1 (1.00) OPRL1OPRM1OPRK1
SCHEMBL3408765 0.71 OPRM1 (1.00) OPRL1OPRM1OPRK1
SCHEMBL3413521 0.70 OPRL1 (1.00) OPRL1OPRM1OPRK1
SCHEMBL12521051 0.69 OPRM1 (0.65) OPRL1OPRM1OPRK1
SCHEMBL3410758 0.68 OPRL1 (0.50) OPRL1OPRM1OPRK1
SCHEMBL3407068 0.68 OPRM1 (0.67) OPRL1OPRM1OPRK1
SCHEMBL4349913 0.66 OPRM1 (0.63) OPRL1OPRM1OPRK1
SCHEMBL13695532 0.65 OPRL1 (0.79) OPRL1OPRM1OPRK1
SCHEMBL3410403 0.65 OPRM1 (1.00) OPRL1OPRM1OPRK1
SCHEMBL24776648 0.64 OPRM1 (0.48) OPRL1OPRM1OPRK1

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
EP-2260021-A1 SUBSTITUTED 4-AMINOCYCLOHEXANE DERIVATIVES Grünenthal GmbH (DE) 2010-12-15 EP disclosed
WO-2009118168-A1 SUBSTITUTED 4-AMINOCYCLOHEXANE DERIVATIVES Grünenthal GmbH (DE) 2009-10-01 WO disclosed