SCHEMBL6941934

SCHEMBL6941934

CN(C)CC1CCCCC1(O)c1ccccc1Br

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 16/20 0.56
SLC6A2 P23975 14/20 0.56
OPRM1 P35372 14/20 0.56
OPRD1 P41143 3/20 0.56
OPRK1 P41145 3/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
SLC22A1 O15245 2/20 0.53
CHRM2 P08172 1/20 0.53
CHRM1 P11229 1/20 0.53
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL6869696 0.86 SLC6A4 (0.62) SLC6A4SLC6A2OPRM1OPRD1OPRK1
SCHEMBL6939731 0.84 SLC6A4 (0.56) SLC6A4SLC6A2OPRM1OPRD1OPRK1
SCHEMBL6865381 0.82 SLC6A2 (0.60) SLC6A4SLC6A2OPRM1OPRD1OPRK1
Hydrochloric Acid SCHEMBL8686122 0.81 SLC6A2 (0.59) SLC6A4SLC6A2OPRM1OPRD1OPRK1
SCHEMBL150032 0.80 SLC6A4 (0.73) SLC6A4SLC6A2OPRM1OPRD1OPRK1
SCHEMBL6944014 0.76 SLC6A4 (0.75) SLC6A4SLC6A2OPRM1OPRD1OPRK1
SCHEMBL6940635 0.74 SLC6A4 (0.61) SLC6A4SLC6A2OPRM1OPRD1OPRK1
SCHEMBL4663698 0.74 OPRM1 (0.46) SLC6A4SLC6A2OPRM1OPRD1OPRK1
SCHEMBL6936270 0.74 SLC6A4 (0.54) SLC6A4SLC6A2OPRM1OPRD1OPRK1
SCHEMBL7025932 0.74 SLC6A4 (0.51) 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