SCHEMBL2000385

SCHEMBL2000385

COc1ccc2c(c1)c(C(=O)c1ncc(-c3ccccn3)o1)c(C(F)(F)F)n2Cc1ccc(Cl)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.38
PLA2G2A P14555 2/20 0.38
CES1 P23141 2/20 0.37
F2RL3 Q96RI0 1/20 0.37

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
SCHEMBL2005391 0.94 F2RL3 (0.37) FAAHF2RL3
SCHEMBL2002866 0.93 FAAH (0.41) FAAH
SCHEMBL2007302 0.91 FAAH (0.43) FAAHPLA2G2ACES1
SCHEMBL2010346 0.91 PLA2G2A (0.37) FAAHPLA2G2AF2RL3
SCHEMBL2003039 0.91 FAAH (0.38) FAAH
SCHEMBL2004514 0.91 F2RL3 (0.39) FAAHPLA2G2AF2RL3
SCHEMBL2003840 0.90 FAAH (0.40) FAAHCES1
SCHEMBL2008038 0.90 FAAH (0.39) FAAH
SCHEMBL2003836 0.90 FAAH (0.41) FAAH
SCHEMBL2003372 0.89 PLA2G2A (0.38) PLA2G2AF2RL3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7960544-B2 Useful indole compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2011-06-14 US disclosed