SCHEMBL2003243

SCHEMBL2003243

O=C(c1ncc(-c2ccccn2)o1)c1c(Cl)n(Cc2ccc(Cl)cc2)c2ccc(Cl)cc12

nearest known ligand 0.52

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
FAAH O00519 5/20 0.47
CES1 P23141 2/20 0.44

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
SCHEMBL1999493 0.94 FAAH (0.43) FAAHCES1
SCHEMBL2002700 0.93 FAAH (0.43) FAAHCES1
SCHEMBL2006361 0.93 FAAH (0.45) FAAHCES1
SCHEMBL2001886 0.91 FAAH (0.46) FAAHCES1
SCHEMBL2004257 0.90 FAAH (0.43) FAAH
SCHEMBL2000884 0.90 FAAH (0.44) FAAHCES1
SCHEMBL2005379 0.89 FAAH (0.44) FAAHCES1
SCHEMBL2003811 0.88 FAAH (0.41) FAAH
SCHEMBL2005326 0.88 MEN1 (0.43) FAAHCES1
SCHEMBL2001323 0.85 L3MBTL1 (0.41) FAAH

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