SCHEMBL6249783

SCHEMBL6249783

CN(C)C1(c2ccccc2)CC[CH]CC1

nearest known ligand 0.75

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 18/20 0.75
OPRM1 P35372 17/20 0.75
OPRK1 P41145 5/20 0.75

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
SCHEMBL3413521 0.86 OPRL1 (1.00) OPRL1OPRM1OPRK1
SCHEMBL22101935 0.82 OPRL1 (0.82) OPRL1OPRM1OPRK1
SCHEMBL2782210 0.80 OPRL1 (0.78) OPRL1OPRM1OPRK1
SCHEMBL13695532 0.77 OPRL1 (0.79) OPRL1OPRM1OPRK1
SCHEMBL2834926 0.77 OPRM1 (0.72) OPRL1OPRM1OPRK1
SCHEMBL517752 0.75 OPRL1 (0.69) OPRL1OPRM1OPRK1
SCHEMBL14534167 0.75 OPRL1 (0.69) OPRL1OPRM1OPRK1
SCHEMBL22540247 0.75 OPRL1 (0.69) OPRL1OPRM1OPRK1
Hydrochloric Acid SCHEMBL2331328 0.75 OPRL1 (0.69) OPRL1OPRM1OPRK1
SCHEMBL3407429 0.75 OPRL1 (0.69) 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-1560809-A1 CYCLOHEXYLUREA DERIVATIVES Grünenthal GmbH (DE) 2005-08-10 EP disclosed
WO-2004043909-A1 CYCLOHEXYLUREA DERIVATIVES Grünenthal GmbH (DE) 2004-05-27 WO disclosed