SCHEMBL6939734

SCHEMBL6939734

CN(C)C(c1ccc(Cl)c(Cl)c1)C1CCCCC1(O)Cc1ccc(C(C)(C)C)cc1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 10/20 0.35
SLC6A4 P31645 9/20 0.35
SLC6A2 P23975 5/20 0.35
TACR2 P21452 1/20 0.34
OPRD1 P41143 1/20 0.33
TRPA1 O75762 1/20 0.33
F2R P25116 1/20 0.33
STS P08842 1/20 0.32

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
SCHEMBL6934468 0.88 SLC6A3 (0.42) SLC6A3SLC6A4SLC6A2
SCHEMBL6939083 0.87 SLC6A2 (0.41) SLC6A3SLC6A4SLC6A2STS
SCHEMBL6937455 0.85 PSEN1 (0.37)
SCHEMBL6941158 0.83 SLC6A2 (0.39) SLC6A4SLC6A2STS
SCHEMBL6937024 0.80 OPRL1 (0.39) SLC6A3SLC6A4SLC6A2TACR2TRPA1
SCHEMBL6938762 0.78 SLC6A3 (0.37) SLC6A3SLC6A4SLC6A2TACR2
SCHEMBL6936266 0.77 MEN1 (0.32)
SCHEMBL6936962 0.76 SLC6A4 (0.40) SLC6A3SLC6A4SLC6A2
SCHEMBL5846308 0.76 CCR5 (0.38) SLC6A3SLC6A4SLC6A2
SCHEMBL6942930 0.76 SLC6A2 (0.45) SLC6A3SLC6A4SLC6A2OPRD1

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