SCHEMBL4691072

SCHEMBL4691072

O=C(Nc1ccccc1)N1CCN(Cc2ccc(-c3ccccc3)c(C(F)(F)F)c2)CC1Cc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FAAH O00519 14/20 0.53
ROCK1 Q13464 1/20 0.49
S1PR1 P21453 2/20 0.46
S1PR4 O95977 1/20 0.43
S1PR5 Q9H228 1/20 0.43
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA4 P22748 2/20 0.42
CA9 Q16790 2/20 0.42
HIF1A Q16665 1/20 0.42
EPAS1 Q99814 1/20 0.42

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
SCHEMBL4471985 0.91 CNR2 (0.51) FAAHROCK1CA1CA2CA4
SCHEMBL13708832 0.91 CNR2 (0.51) FAAHROCK1CA1CA2CA4
SCHEMBL4466286 0.81 ROCK1 (0.54) FAAHROCK1CA1CA2CA4
SCHEMBL4466288 0.81 ROCK1 (0.54) FAAHROCK1CA1CA2CA4
SCHEMBL4469872 0.81 ROCK1 (0.54) FAAHROCK1CA1CA2CA4
SCHEMBL4476870 0.81 CNR2 (0.52) ROCK1CA1CA2CA4CA9
SCHEMBL4475802 0.79 CNR2 (0.51) FAAHROCK1CA1CA2CA4
SCHEMBL4471991 0.77 CNR2 (0.54) ROCK1CA1CA2CA4CA9
SCHEMBL4481105 0.77 CNR2 (0.54) ROCK1CA1CA2CA4CA9
SCHEMBL4471986 0.77 CNR2 (0.54) ROCK1CA1CA2CA4CA9

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-1966132-A2 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-09-10 EP disclosed
WO-2007070760-A2 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-06-21 WO disclosed