SCHEMBL27729902

SCHEMBL27729902

CCCCC(Cc1cccc(O)c1)CN(C)C

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 9/20 0.45
OPRD1 P41143 8/20 0.45
OPRK1 P41145 8/20 0.45
DRD2 P14416 5/20 0.45
DRD3 P35462 5/20 0.45
DRD1 P21728 1/20 0.43
DRD4 P21917 1/20 0.43
DRD5 P21918 1/20 0.43
SLC22A1 O15245 1/20 0.43
ENPP2 Q13822 1/20 0.38

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
SCHEMBL28922215 0.85 OPRM1 (0.46) OPRM1OPRD1OPRK1DRD2DRD3
SCHEMBL30763518 0.85 OPRM1 (0.46) OPRM1OPRD1OPRK1DRD2DRD3
SCHEMBL27553988 0.81 TAAR1 (0.50)
SCHEMBL22112040 0.78 DRD2 (0.48) OPRM1OPRD1OPRK1DRD2DRD3
SCHEMBL27729903 0.78 ACHE (0.44)
SCHEMBL19072758 0.78 CYP1A2 (0.46) OPRM1OPRK1
SCHEMBL14402697 0.77 OPRM1 (0.47) OPRM1OPRD1OPRK1DRD2DRD3
SCHEMBL1484276 0.77 ESR1 (0.49)
SCHEMBL8503783 0.76 CSNK1E (0.51)
SCHEMBL29411063 0.76 SIGMAR1 (0.48) OPRM1OPRD1OPRK1DRD2DRD3

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
CN-101228110-A 3-(2-(dimethylamino)methyl(cyclohex-1-yl))phenol maleate and its crystalline for GRUENENTHAL GMBH (DE) 2008-07-23 CN claimed
CN-101228110-A 3-(2-(dimethylamino)methyl(cyclohex-1-yl))phenol maleate and its crystalline for GRUENENTHAL GMBH (DE) 2008-07-23 CN disclosed