SCHEMBL5158062

SCHEMBL5158062

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

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.41
OPRL1 P41146 4/20 0.41
SLC6A9 P48067 1/20 0.41
SLC6A5 Q9Y345 1/20 0.41
SLC6A4 P31645 3/20 0.41
SLC6A3 Q01959 3/20 0.41
CNR2 P34972 3/20 0.40
OPRD1 P41143 2/20 0.40
OPRK1 P41145 2/20 0.40
CCR1 P32246 4/20 0.38
CNR1 P21554 2/20 0.38
SLC6A2 P23975 2/20 0.37
ALDH1A1 P00352 1/20 0.35
TSHR P16473 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
SCHEMBL5159940 0.91 OPRM1 (0.40) OPRM1OPRL1SLC6A9SLC6A5SLC6A4
SCHEMBL6941375 0.89 OPRM1 (0.41) OPRM1OPRL1SLC6A9SLC6A5SLC6A4
SCHEMBL6938750 0.89 OPRM1 (0.40) OPRM1OPRL1SLC6A9SLC6A5SLC6A4
SCHEMBL5158611 0.88 OPRM1 (0.41) OPRM1OPRL1SLC6A9SLC6A5SLC6A4
SCHEMBL6939344 0.88 OPRL1 (0.45) OPRM1OPRL1SLC6A9SLC6A5SLC6A4
SCHEMBL6937026 0.88 OPRM1 (0.40) OPRM1OPRL1SLC6A9SLC6A5SLC6A4
SCHEMBL6936278 0.87 SLC6A3 (0.44) OPRM1OPRL1SLC6A9SLC6A5SLC6A4
SCHEMBL6939119 0.87 SLC6A4 (0.45) OPRM1OPRL1SLC6A9SLC6A5SLC6A4
SCHEMBL6934471 0.86 OPRM1 (0.44) OPRM1OPRL1SLC6A9SLC6A5SLC6A4
SCHEMBL6941657 0.86 OPRM1 (0.36) OPRM1CNR2OPRD1OPRK1CNR1

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