SCHEMBL6941158

SCHEMBL6941158

CN(C)C(c1ccccc1Cl)C1CCCCC1(O)Cc1ccc(C(C)(C)C)cc1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
OPRL1 P41146 10/20 0.35
OPRM1 P35372 6/20 0.35
NISCH Q9Y2I1 1/20 0.31
RAB9A P51151 1/20 0.31
STS P08842 1/20 0.31

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
SCHEMBL6940299 0.90 SLC6A2 (0.44) SLC6A2SLC6A4OPRL1OPRM1NISCH
SCHEMBL6937455 0.85 PSEN1 (0.37)
SCHEMBL6939734 0.83 SLC6A3 (0.35) SLC6A2SLC6A4STS
SCHEMBL6940264 0.83 SLC6A2 (0.44) SLC6A2SLC6A4OPRL1OPRM1NISCH
SCHEMBL6939083 0.82 SLC6A2 (0.41) SLC6A2SLC6A4OPRM1STS
SCHEMBL6936266 0.80 MEN1 (0.32) RAB9A
SCHEMBL6680122 0.79 SLC6A2 (0.42) SLC6A2SLC6A4OPRL1OPRM1NISCH
SCHEMBL6677450 0.78 TMEM97 (0.40) SLC6A2SLC6A4OPRL1OPRM1
SCHEMBL6936116 0.78 SLC6A9 (0.39) SLC6A2SLC6A4OPRL1OPRM1
SCHEMBL6676290 0.78 SLC6A2 (0.41) SLC6A2SLC6A4OPRL1OPRM1

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 2 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 disclosed
EP-1043307-A2 3-amino-3-arylpropan-1-ol-derivates, their preparation and their use Grünenthal GmbH (DE) 2000-10-11 EP disclosed