SCHEMBL3409656

SCHEMBL3409656

C[C](C1CCOCC1)C1(c2ccccc2)CCC(c2ccccc2)(N(C)C)CC1

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 18/20 0.51
OPRM1 P35372 13/20 0.51
OPRK1 P41145 4/20 0.51

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
SCHEMBL3410758 0.83 OPRL1 (0.50) OPRL1OPRM1OPRK1
SCHEMBL4348595 0.78 OPRL1 (0.60) OPRL1OPRM1OPRK1
SCHEMBL22540247 0.72 OPRL1 (0.69) OPRL1OPRM1OPRK1
SCHEMBL3409093 0.72 OPRL1 (0.54) OPRL1OPRM1OPRK1
SCHEMBL3413521 0.72 OPRL1 (1.00) OPRL1OPRM1OPRK1
SCHEMBL3410763 0.71 OPRL1 (0.57) OPRL1OPRM1OPRK1
SCHEMBL17439129 0.71 OPRL1 (0.61) OPRL1OPRM1OPRK1
SCHEMBL2202322 0.70 OPRL1 (0.70) OPRL1OPRM1OPRK1
Hydrochloric Acid SCHEMBL517855 0.68 OPRL1 (0.68) OPRL1OPRM1OPRK1
SCHEMBL5382074 0.68 OPRL1 (0.68) 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 claimed
WO-2009118168-A1 SUBSTITUTED 4-AMINOCYCLOHEXANE DERIVATIVES Grünenthal GmbH (DE) 2009-10-01 WO claimed