SCHEMBL6936968

SCHEMBL6936968

CN(C)C(c1ccccc1)C1CCCCC1(O)c1ccc(F)c(C(F)(F)F)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 6/20 0.37
OPRM1 P35372 8/20 0.36
OPRL1 P41146 2/20 0.36
SLC6A4 P31645 7/20 0.35
SLC6A2 P23975 5/20 0.35
OPRD1 P41143 5/20 0.35
OPRK1 P41145 5/20 0.35
SLC6A3 Q01959 3/20 0.35
HTR1A P08908 1/20 0.35
DRD2 P14416 1/20 0.35
DRD1 P21728 1/20 0.35
DRD4 P21917 1/20 0.35
DRD5 P21918 1/20 0.35
HRH2 P25021 1/20 0.35
HTR1D P28221 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR7 P34969 1/20 0.35
DRD3 P35462 1/20 0.35
HTR2B P41595 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
SCHEMBL2357274 0.86 SLC6A4 (0.35) OPRM1OPRL1SLC6A4SLC6A2OPRD1
SCHEMBL5163207 0.84 OPRM1 (0.44) OPRM1OPRL1SLC6A4SLC6A2OPRD1
SCHEMBL5158611 0.82 OPRM1 (0.41) OPRM1OPRL1SLC6A4SLC6A2OPRD1
SCHEMBL6936946 0.82 OPRM1 (0.43) OPRM1OPRL1SLC6A4SLC6A2OPRD1
SCHEMBL5159940 0.81 OPRM1 (0.40) OPRM1OPRL1SLC6A4SLC6A2OPRD1
SCHEMBL6938734 0.81 SLC6A3 (0.46) SLC6A4SLC6A2SLC6A3
SCHEMBL5158062 0.80 OPRM1 (0.41) OPRM1OPRL1SLC6A4SLC6A2OPRD1
SCHEMBL6936278 0.80 SLC6A3 (0.44) OPRM1OPRL1SLC6A4SLC6A2SLC6A3
SCHEMBL5160386 0.80 OPRM1 (0.44) OPRM1OPRL1SLC6A4SLC6A2OPRD1
SCHEMBL6941375 0.79 OPRM1 (0.41) OPRM1OPRL1SLC6A4SLC6A2OPRD1

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