SCHEMBL6937411

SCHEMBL6937411

CN(C)C(c1ccccc1)C1CCCCC1(O)c1cccc(O)c1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 15/20 0.56
SLC6A4 P31645 13/20 0.56
SLC6A2 P23975 10/20 0.56
OPRK1 P41145 5/20 0.56
OPRD1 P41143 4/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
KDR P35968 1/20 0.48
SLC6A3 Q01959 1/20 0.48
SLC22A1 O15245 2/20 0.40
CHRM2 P08172 1/20 0.40
CHRM1 P11229 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
SCHEMBL5159940 0.89 OPRM1 (0.40) OPRM1SLC6A4SLC6A2OPRK1OPRD1
SCHEMBL5163165 0.88 OPRM1 (0.44) OPRM1SLC6A4SLC6A2OPRK1OPRD1
SCHEMBL6936946 0.87 OPRM1 (0.43) OPRM1SLC6A4SLC6A2OPRK1OPRD1
SCHEMBL6938750 0.87 OPRM1 (0.40) OPRM1SLC6A4SLC6A2OPRK1OPRD1
SCHEMBL5160480 0.85 SLC6A4 (0.58) OPRM1SLC6A4SLC6A2OPRK1OPRD1
SCHEMBL6938734 0.84 SLC6A3 (0.46) SLC6A4SLC6A2SLC6A3
SCHEMBL5161148 0.83 SLC6A4 (0.38) OPRM1SLC6A4SLC6A2OPRK1OPRD1
SCHEMBL6936278 0.83 SLC6A3 (0.44) OPRM1SLC6A4SLC6A2SLC6A3
SCHEMBL6939119 0.83 SLC6A4 (0.45) OPRM1SLC6A4SLC6A2OPRK1OPRD1
SCHEMBL6941375 0.82 OPRM1 (0.41) OPRM1SLC6A4SLC6A2OPRK1OPRD1

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