SCHEMBL6937385

SCHEMBL6937385

COc1cccc(C2(O)CCCCC2Cc2ccccc2N(C)C)c1

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 14/20 0.69
SLC6A2 P23975 13/20 0.69
OPRM1 P35372 9/20 0.69
SLC22A1 O15245 3/20 0.69
OPRD1 P41143 3/20 0.69
OPRK1 P41145 2/20 0.69
MEN1 O00255 2/20 0.69
KMT2A Q03164 2/20 0.69
CHRM2 P08172 1/20 0.69
CHRM1 P11229 1/20 0.69
HTR3A P46098 2/20 0.46
HTR4 Q13639 1/20 0.46

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
SCHEMBL6934477 0.88 SLC6A4 (0.52) SLC6A4SLC6A2OPRM1SLC22A1OPRD1
SCHEMBL6937417 0.86 SLC6A4 (0.67) SLC6A4SLC6A2OPRM1SLC22A1OPRD1
SCHEMBL6936956 0.85 SLC6A2 (0.49) SLC6A4SLC6A2OPRM1SLC22A1OPRD1
SCHEMBL6937450 0.85 SLC6A2 (0.49) SLC6A4SLC6A2OPRM1SLC22A1OPRD1
SCHEMBL6936991 0.85 SLC6A4 (0.51) SLC6A4SLC6A2OPRM1SLC22A1OPRD1
SCHEMBL6939036 0.84 SLC6A4 (0.48) SLC6A4SLC6A2OPRM1SLC22A1OPRD1
SCHEMBL6939500 0.83 SLC6A2 (0.47) SLC6A4SLC6A2OPRM1SLC22A1OPRD1
SCHEMBL4667320 0.83 OPRK1 (0.50) SLC6A4SLC6A2OPRM1SLC22A1OPRD1
Hydrochloric Acid SCHEMBL7739135 0.82 SLC6A2 (0.47) SLC6A4SLC6A2OPRM1SLC22A1OPRD1
(R,R)-Tramadol SCHEMBL57495 0.82 SLC6A2 (1.00) 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 7 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
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