SCHEMBL5163207

SCHEMBL5163207

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

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.44
OPRL1 P41146 3/20 0.44
SLC6A4 P31645 5/20 0.44
SLC6A3 Q01959 4/20 0.44
OPRK1 P41145 2/20 0.40
OPRD1 P41143 1/20 0.40
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
SLC6A2 P23975 2/20 0.39
CCR5 P51681 1/20 0.37
TACR1 P25103 2/20 0.35
KCNH2 Q12809 1/20 0.35
SLC6A9 P48067 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
SCHEMBL5160386 0.95 OPRM1 (0.44) OPRM1OPRL1SLC6A4SLC6A3OPRK1
SCHEMBL6939057 0.89 SLC6A4 (0.42) OPRM1OPRL1SLC6A4SLC6A3LMNA
SCHEMBL5159940 0.88 OPRM1 (0.40) OPRM1OPRL1SLC6A4SLC6A3OPRK1
SCHEMBL5158611 0.87 OPRM1 (0.41) OPRM1OPRL1SLC6A4SLC6A3OPRK1
SCHEMBL6936758 0.86 SLC6A4 (0.40) OPRM1OPRL1SLC6A4SLC6A3LMNA
SCHEMBL6941375 0.86 OPRM1 (0.41) OPRM1OPRL1SLC6A4SLC6A3OPRK1
SCHEMBL6938750 0.86 OPRM1 (0.40) OPRM1OPRL1SLC6A4SLC6A3OPRK1
SCHEMBL6937026 0.85 OPRM1 (0.40) OPRM1OPRL1SLC6A4SLC6A3OPRK1
SCHEMBL6939344 0.85 OPRL1 (0.45) OPRM1OPRL1SLC6A4SLC6A3OPRK1
SCHEMBL5158062 0.85 OPRM1 (0.41) OPRM1OPRL1SLC6A4SLC6A3OPRK1

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