SCHEMBL8025136

SCHEMBL8025136

CN(C)CC1CC(OCc2ccccc2)CCC1(O)c1cccc(O)c1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 13/20 0.59
OPRK1 P41145 12/20 0.59
OPRD1 P41143 9/20 0.59
SLC6A4 P31645 8/20 0.59
SLC6A2 P23975 7/20 0.59
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
OPRL1 P41146 2/20 0.50
SLC22A1 O15245 2/20 0.46
CHRM2 P08172 1/20 0.46
CHRM1 P11229 1/20 0.46

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
Hydrochloric Acid SCHEMBL8615875 0.99 OPRK1 (0.58) OPRM1OPRK1OPRD1SLC6A4SLC6A2
SCHEMBL4663913 0.91 OPRM1 (0.56) OPRM1OPRK1OPRD1SLC6A4SLC6A2
SCHEMBL150888 0.91 OPRK1 (0.57) OPRM1OPRK1OPRD1SLC6A4SLC6A2
SCHEMBL150889 0.91 OPRK1 (0.57) OPRM1OPRK1OPRD1SLC6A4SLC6A2
SCHEMBL4663634 0.91 OPRM1 (0.49) OPRM1OPRK1OPRD1SLC6A4SLC6A2
SCHEMBL4665369 0.90 OPRM1 (0.48) OPRM1OPRK1OPRD1SLC6A4SLC6A2
SCHEMBL4663408 0.90 OPRM1 (0.48) OPRM1OPRK1OPRD1SLC6A4SLC6A2
SCHEMBL4665546 0.90 OPRK1 (0.55) OPRM1OPRK1OPRD1SLC6A4SLC6A2
SCHEMBL4663372 0.89 OPRK1 (0.46) OPRM1OPRK1OPRD1SLC6A4SLC6A2
SCHEMBL4665471 0.89 OPRK1 (0.61) OPRM1OPRK1OPRD1SLC6A4SLC6A2

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-0780369-B1 1-Phenyl-2-dimethylaminomethyl-cyclohexan-1-ol derivatives as pharmaceutical agents GRUENENTHAL GMBH (DE) 2000-01-19 EP disclosed
EP-0780369-A1 1-Phenyl-2-dimethylaminomethyl-cyclohexan-1-ol derivatives as pharmaceutical agents Grünenthal GmbH (DE) 1997-06-25 EP disclosed