SCHEMBL8022895

SCHEMBL8022895

COc1cccc(C2(O)CCC(Cc3ccccc3)CC2CN(C)C)c1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 9/20 0.64
OPRD1 P41143 8/20 0.64
SLC6A2 P23975 6/20 0.64
SLC6A4 P31645 6/20 0.64
OPRM1 P35372 4/20 0.64
SLC22A1 O15245 2/20 0.64
CHRM2 P08172 1/20 0.64
CHRM1 P11229 1/20 0.64
MEN1 O00255 1/20 0.64
KMT2A Q03164 1/20 0.64

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 SCHEMBL8615115 0.99 OPRK1 (0.62) OPRK1OPRD1SLC6A2SLC6A4OPRM1
SCHEMBL4665394 0.95 OPRK1 (0.65) OPRK1OPRD1SLC6A2SLC6A4OPRM1
SCHEMBL4664145 0.94 OPRK1 (0.58) OPRK1OPRD1SLC6A2SLC6A4OPRM1
SCHEMBL8026740 0.92 OPRK1 (0.61) OPRK1OPRD1SLC6A2SLC6A4OPRM1
SCHEMBL4663363 0.91 OPRK1 (0.60) OPRK1OPRD1SLC6A2SLC6A4OPRM1
Hydrochloric Acid SCHEMBL8612137 0.91 OPRK1 (0.60) OPRK1OPRD1SLC6A2SLC6A4OPRM1
SCHEMBL4663680 0.91 OPRK1 (0.60) OPRK1OPRD1SLC6A2SLC6A4OPRM1
SCHEMBL19253141 0.91 OPRK1 (0.60) OPRK1OPRD1SLC6A2SLC6A4OPRM1
SCHEMBL8025129 0.90 OPRK1 (0.61) OPRK1OPRD1SLC6A2SLC6A4OPRM1
SCHEMBL8023502 0.90 OPRK1 (0.51) OPRK1OPRD1SLC6A2SLC6A4OPRM1

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