SCHEMBL5158046

SCHEMBL5158046

CN(C)C(c1ccccc1)C1CCCCC1(O)C1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.43
OPRK1 P41145 3/20 0.43
OPRL1 P41146 3/20 0.43
OPRD1 P41143 2/20 0.43
ATM Q13315 1/20 0.38
SLC6A9 P48067 1/20 0.37
SLC6A4 P31645 2/20 0.36
SLC6A3 Q01959 2/20 0.36
KDR P35968 1/20 0.36
TSHR P16473 1/20 0.35
TRPA1 O75762 1/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
LMNA P02545 1/20 0.34
SLC6A2 P23975 1/20 0.33

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 0.80 OPRM1 (0.40) OPRM1OPRK1OPRL1OPRD1SLC6A9
SCHEMBL6936762 0.76 SLC6A9 (0.39) OPRM1OPRK1OPRL1OPRD1SLC6A9
SCHEMBL7732583 0.76 OPRM1 (0.38) OPRM1OPRK1OPRL1OPRD1ATM
SCHEMBL6941375 0.75 OPRM1 (0.41) OPRM1OPRK1OPRL1OPRD1SLC6A9
Hydrochloric Acid SCHEMBL7741182 0.75 OPRL1 (0.39) OPRM1OPRK1OPRL1OPRD1SLC6A9
SCHEMBL6938750 0.75 OPRM1 (0.40) OPRM1OPRK1OPRL1OPRD1SLC6A9
SCHEMBL5161138 0.75 OPRM1 (0.42) OPRM1OPRK1OPRL1OPRD1SLC6A9
SCHEMBL6941038 0.74 OPRM1 (0.41) OPRM1OPRK1OPRL1OPRD1SLC6A4
SCHEMBL5158078 0.74 OPRM1 (0.40) OPRM1OPRK1OPRL1OPRD1CHRM3
SCHEMBL6937026 0.74 OPRM1 (0.40) OPRM1OPRK1OPRL1OPRD1SLC6A9

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