SCHEMBL6940635

SCHEMBL6940635

CN(C)CC1CCCCC1(O)c1ccc(Br)c(F)c1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 13/20 0.61
OPRM1 P35372 13/20 0.61
SLC6A2 P23975 11/20 0.61
OPRD1 P41143 7/20 0.61
OPRK1 P41145 7/20 0.61
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
SLC22A1 O15245 2/20 0.58
CHRM2 P08172 1/20 0.58
CHRM1 P11229 1/20 0.58
SLC6A3 Q01959 1/20 0.41
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL13970978 0.85 SLC6A4 (0.61) SLC6A4OPRM1SLC6A2OPRD1OPRK1
SCHEMBL13970981 0.85 SLC6A4 (0.61) SLC6A4OPRM1SLC6A2OPRD1OPRK1
SCHEMBL6945766 0.83 SLC6A4 (0.61) SLC6A4OPRM1SLC6A2OPRD1OPRK1
SCHEMBL13970980 0.83 SLC6A4 (0.61) SLC6A4OPRM1SLC6A2OPRD1OPRK1
SCHEMBL13970982 0.83 SLC6A4 (0.61) SLC6A4OPRM1SLC6A2OPRD1OPRK1
SCHEMBL28739239 0.82 SLC6A4 (0.62) SLC6A4OPRM1SLC6A2OPRD1OPRK1
SCHEMBL28739230 0.82 SLC6A4 (0.62) SLC6A4OPRM1SLC6A2OPRD1OPRK1
SCHEMBL28739224 0.82 SLC6A4 (0.62) SLC6A4OPRM1SLC6A2OPRD1OPRK1
SCHEMBL19980871 0.81 SLC6A2 (0.65) SLC6A4OPRM1SLC6A2OPRD1OPRK1
SCHEMBL2615420 0.80 SLC6A4 (0.75) SLC6A4OPRM1SLC6A2OPRD1OPRK1

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-1368299-A2 SUBSTITUTED C-CYCLOHEXYLMETHYLAMINE DERIVATIVES Grünenthal GmbH (DE) 2003-12-10 EP claimed
WO-2002030870-A2 SUBSTITUTED C-CYCLOHEXYLMETHYLAMINE DERIVATIVES Grünenthal GmbH (DE) 2002-04-18 WO claimed