SCHEMBL5158611

SCHEMBL5158611

CN(C)C(c1ccccc1)C1CCCCC1(O)c1ccc(F)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 7/20 0.41
OPRL1 P41146 5/20 0.41
SLC6A9 P48067 4/20 0.41
SLC6A5 Q9Y345 2/20 0.41
OPRD1 P41143 2/20 0.40
OPRK1 P41145 2/20 0.40
KCNH2 Q12809 1/20 0.39
HTT P42858 1/20 0.38
ATM Q13315 1/20 0.38
TRPA1 O75762 2/20 0.38
NPSR1 Q6W5P4 2/20 0.36
MAPK1 P28482 1/20 0.36
RECQL P46063 1/20 0.36
SLC6A4 P31645 2/20 0.35
SLC6A3 Q01959 2/20 0.35
SLC6A2 P23975 1/20 0.35
CACNA1G O43497 1/20 0.35
CCR5 P51681 1/20 0.34
KDR P35968 1/20 0.34

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 0.91 OPRM1 (0.40) OPRM1OPRL1SLC6A9SLC6A5OPRD1
SCHEMBL6941375 0.89 OPRM1 (0.41) OPRM1OPRL1SLC6A9SLC6A5OPRD1
SCHEMBL6938750 0.89 OPRM1 (0.40) OPRM1OPRL1SLC6A9SLC6A5OPRD1
SCHEMBL6939344 0.88 OPRL1 (0.45) OPRM1OPRL1SLC6A9SLC6A5OPRD1
SCHEMBL5158062 0.88 OPRM1 (0.41) OPRM1OPRL1SLC6A9SLC6A5OPRD1
SCHEMBL6937026 0.88 OPRM1 (0.40) OPRM1OPRL1SLC6A9SLC6A5OPRD1
SCHEMBL6936946 0.87 OPRM1 (0.43) OPRM1OPRL1SLC6A9OPRD1OPRK1
SCHEMBL5163207 0.87 OPRM1 (0.44) OPRM1OPRL1SLC6A9OPRD1OPRK1
SCHEMBL6934471 0.86 OPRM1 (0.44) OPRM1OPRL1SLC6A9SLC6A5OPRD1
SCHEMBL6941657 0.86 OPRM1 (0.36) OPRM1OPRD1OPRK1

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-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
EP-1043307-A2 3-amino-3-arylpropan-1-ol-derivates, their preparation and their use Grünenthal GmbH (DE) 2000-10-11 EP disclosed