SCHEMBL6938759

SCHEMBL6938759

CN(C)c1ccccc1CC1CCCCC1(O)c1ccc(O)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 13/20 0.49
SLC6A2 P23975 12/20 0.49
OPRM1 P35372 11/20 0.49
OPRD1 P41143 3/20 0.49
OPRK1 P41145 3/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
SLC22A1 O15245 3/20 0.41
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
ESR1 P03372 2/20 0.36
ESR2 Q92731 2/20 0.36
TRPA1 O75762 1/20 0.36
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL6936956 0.91 SLC6A2 (0.49) SLC6A4SLC6A2OPRM1OPRD1OPRK1
SCHEMBL6941054 0.90 SLC6A4 (0.44) SLC6A4SLC6A2OPRM1OPRD1OPRK1
SCHEMBL6941381 0.90 SLC6A4 (0.44) SLC6A4SLC6A2OPRM1OPRD1OPRK1
SCHEMBL6937031 0.89 SLC6A4 (0.43) SLC6A4SLC6A2OPRM1OPRD1OPRK1
SCHEMBL6939180 0.89 SLC6A4 (0.43) SLC6A4SLC6A2OPRM1OPRD1OPRK1
SCHEMBL6936267 0.89 OPRM1 (0.43) SLC6A4SLC6A2OPRM1OPRD1OPRK1
SCHEMBL6937417 0.87 SLC6A4 (0.67) SLC6A4SLC6A2OPRM1OPRD1OPRK1
SCHEMBL6934477 0.87 SLC6A4 (0.52) SLC6A4SLC6A2OPRM1OPRD1OPRK1
SCHEMBL6937437 0.86 LMNA (0.46) SLC6A4SLC6A2OPRM1OPRD1OPRK1
SCHEMBL6941665 0.86 OPRM1 (0.44) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1043307-B1 3-amino-3-arylpropan-1-ol-derivates, their preparation and their use GRUENENTHAL GMBH (DE) 2003-06-04 EP claimed
US-6410790-B1 ANALGESICS GRUENENTHAL GMBH (DE) 2002-06-25 US claimed
EP-1043307-A2 3-amino-3-arylpropan-1-ol-derivates, their preparation and their use Grünenthal GmbH (DE) 2000-10-11 EP claimed
EP-1043307-B1 3-amino-3-arylpropan-1-ol-derivates, their preparation and their use GRUENENTHAL GMBH (DE) 2003-06-04 EP disclosed
US-6410790-B1 ANALGESICS GRUENENTHAL GMBH (DE) 2002-06-25 US disclosed
EP-1043307-A2 3-amino-3-arylpropan-1-ol-derivates, their preparation and their use Grünenthal GmbH (DE) 2000-10-11 EP disclosed