SCHEMBL6943206

SCHEMBL6943206

CN(C)CC1CCCCC1(O)c1ccc(Cl)cc1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 14/20 0.62
SLC6A2 P23975 12/20 0.62
OPRM1 P35372 9/20 0.62
OPRD1 P41143 3/20 0.62
OPRK1 P41145 3/20 0.62
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
SLC22A1 O15245 2/20 0.58
CHRM2 P08172 1/20 0.58
CHRM1 P11229 1/20 0.58
SLC6A3 Q01959 4/20 0.52
SMN1; SMN2 Q16637 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL28739210 0.87 SLC6A4 (0.64) SLC6A4SLC6A2OPRM1OPRD1OPRK1
SCHEMBL28739239 0.86 SLC6A4 (0.62) SLC6A4SLC6A2OPRM1OPRD1OPRK1
SCHEMBL28739224 0.86 SLC6A4 (0.62) SLC6A4SLC6A2OPRM1OPRD1OPRK1
SCHEMBL28739230 0.86 SLC6A4 (0.62) SLC6A4SLC6A2OPRM1OPRD1OPRK1
SCHEMBL150032 0.85 SLC6A4 (0.73) SLC6A4SLC6A2OPRM1OPRD1OPRK1
SCHEMBL15127712 0.85 SLC6A4 (0.65) SLC6A4SLC6A2OPRM1OPRD1OPRK1
SCHEMBL13950732 0.85 SLC6A4 (0.65) SLC6A4SLC6A2OPRM1OPRD1OPRK1
SCHEMBL4311054 0.85 SLC6A4 (0.65) SLC6A4SLC6A2OPRM1OPRD1OPRK1
SCHEMBL4311051 0.85 SLC6A4 (0.65) SLC6A4SLC6A2OPRM1OPRD1OPRK1
SCHEMBL4311058 0.85 SLC6A4 (0.65) SLC6A4SLC6A2OPRM1OPRD1OPRK1

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