SCHEMBL8028104

SCHEMBL8028104

CN(C)CC1CC(CCC2CCCC2)CCC1(O)c1cccc(O)c1

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 15/20 0.69
SLC6A4 P31645 11/20 0.69
OPRK1 P41145 10/20 0.69
SLC6A2 P23975 9/20 0.69
OPRD1 P41143 8/20 0.69
MEN1 O00255 2/20 0.69
KMT2A Q03164 2/20 0.69
SLC22A1 O15245 2/20 0.51
CHRM2 P08172 1/20 0.51
CHRM1 P11229 1/20 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
Hydrochloric Acid SCHEMBL8610669 0.86 OPRM1 (0.49) OPRM1SLC6A4OPRK1SLC6A2OPRD1
SCHEMBL8026775 0.86 OPRK1 (0.59) OPRM1SLC6A4OPRK1SLC6A2OPRD1
SCHEMBL8026878 0.86 SLC6A2 (0.71) OPRM1SLC6A4OPRK1SLC6A2OPRD1
Hydrochloric Acid SCHEMBL8612507 0.85 SLC6A2 (0.70) OPRM1SLC6A4OPRK1SLC6A2OPRD1
Hydrochloric Acid SCHEMBL8610658 0.85 OPRK1 (0.58) OPRM1SLC6A4OPRK1SLC6A2OPRD1
SCHEMBL8025053 0.84 SLC6A2 (0.57) OPRM1SLC6A4OPRK1SLC6A2OPRD1
SCHEMBL8024618 0.83 OPRK1 (0.61) OPRM1SLC6A4OPRK1SLC6A2OPRD1
Hydrochloric Acid SCHEMBL8616069 0.83 SLC6A2 (0.56) OPRM1SLC6A4OPRK1SLC6A2OPRD1
Hydrochloric Acid SCHEMBL8614236 0.83 OPRK1 (0.60) OPRM1SLC6A4OPRK1SLC6A2OPRD1
O-Desmethyl Tramadol SCHEMBL4396389 0.82 OPRM1 (1.00) OPRM1SLC6A4OPRK1SLC6A2OPRD1

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