SCHEMBL5160480

SCHEMBL5160480

COc1cccc(C2(O)CCCCC2C(c2ccccc2)N(C)C)c1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 13/20 0.58
SLC6A2 P23975 12/20 0.58
OPRM1 P35372 9/20 0.58
SLC22A1 O15245 3/20 0.58
OPRD1 P41143 3/20 0.58
OPRK1 P41145 2/20 0.58
CHRM2 P08172 1/20 0.58
CHRM1 P11229 1/20 0.58
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
OPRL1 P41146 2/20 0.47
SLC6A9 P48067 1/20 0.47
SLC6A5 Q9Y345 1/20 0.47

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
SCHEMBL6934471 0.88 OPRM1 (0.44) SLC6A4SLC6A2OPRM1SLC22A1OPRD1
SCHEMBL6936761 0.88 SLC6A2 (0.52) SLC6A4SLC6A2OPRM1SLC22A1OPRD1
SCHEMBL5159940 0.86 OPRM1 (0.40) SLC6A4SLC6A2OPRM1SLC22A1OPRD1
SCHEMBL6937411 0.85 OPRM1 (0.56) SLC6A4SLC6A2OPRM1SLC22A1OPRD1
SCHEMBL5163165 0.85 OPRM1 (0.44) SLC6A4SLC6A2OPRM1SLC22A1OPRD1
SCHEMBL6937445 0.85 MAPT (0.41) SLC6A4SLC6A2OPRM1SLC22A1OPRD1
SCHEMBL6936946 0.84 OPRM1 (0.43) SLC6A4SLC6A2OPRM1SLC22A1OPRD1
SCHEMBL4663546 0.83 OPRD1 (0.44) SLC6A4SLC6A2OPRM1SLC22A1OPRD1
SCHEMBL6938734 0.83 SLC6A3 (0.46) SLC6A4SLC6A2
SCHEMBL6939493 0.83 SLC6A2 (0.41) SLC6A4SLC6A2OPRM1SLC22A1OPRD1

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 8 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-1406857-B1 SUBSTITUTED 1-ARYL-BUT-3-ENYLAMINE AND 1-ARYL-BUT-2-ENYLAMINE COMPOUNDS GRUENENTHAL GMBH (DE) 2007-02-21 EP disclosed
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
JP-2000327642-A 3-AMINO-3-ARYLPROPAN-1-OL DERIVATIVE, ITS PRODUCTION AND USE GRUENENTHAL GMBH 2000-11-28 JP disclosed
EP-1043307-A2 3-amino-3-arylpropan-1-ol-derivates, their preparation and their use Grünenthal GmbH (DE) 2000-10-11 EP disclosed