SCHEMBL8023946

SCHEMBL8023946

O=C1CCC(O)(CCc2ccccc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.54
OPRL1 P41146 4/20 0.54
OPRD1 P41143 3/20 0.48
OPRK1 P41145 3/20 0.48
GAA P10253 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MEN1 O00255 1/20 0.44
CYP2C9 P11712 1/20 0.44
KMT2A Q03164 1/20 0.44
HSD17B3 P37058 1/20 0.42
GRIN2B Q13224 3/20 0.39
HSD11B1 P28845 1/20 0.39
KEAP1 Q14145 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
IDH1 O75874 1/20 0.38
DDB1 Q16531 1/20 0.37
CRBN Q96SW2 1/20 0.37

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
SCHEMBL8986018 0.88 OPRM1 (0.50) OPRM1OPRL1OPRD1OPRK1MEN1
SCHEMBL28914563 0.85 OPRM1 (0.69) OPRM1OPRL1OPRD1OPRK1HSD17B3
SCHEMBL17493640 0.83 OPRM1 (0.58) OPRM1OPRL1OPRD1OPRK1MEN1
SCHEMBL4989701 0.83 OPRM1 (0.58) OPRM1OPRL1OPRD1OPRK1MEN1
SCHEMBL22355057 0.82 FOLH1 (0.46) OPRM1OPRL1L3MBTL1CYP2C9KMT2A
Hydrochloric Acid SCHEMBL27656058 0.81 OPRM1 (0.59) OPRM1OPRL1OPRD1OPRK1MEN1
SCHEMBL14379186 0.81 OPRL1 (0.50) OPRM1OPRL1OPRD1OPRK1MEN1
SCHEMBL4204848 0.81 OPRM1 (0.60) OPRM1OPRL1OPRD1OPRK1GRIN2B
SCHEMBL5672427 0.76 OPRM1 (0.55) OPRM1OPRL1OPRD1OPRK1MEN1
SCHEMBL8410043 0.76 OPRM1 (0.55) OPRM1OPRL1OPRD1OPRK1GAA

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 3 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
US-5801201-A 1-phenyl-2-dimenthylaminomethyl-cyclohexan-1-ol compounds as pharmaceutical active ingredients GRUENENTHAL GMBH (DE) 1998-09-01 US disclosed
EP-0780369-A1 1-Phenyl-2-dimethylaminomethyl-cyclohexan-1-ol derivatives as pharmaceutical agents Grünenthal GmbH (DE) 1997-06-25 EP disclosed