SCHEMBL2005379

SCHEMBL2005379

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

nearest known ligand 0.48

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
FAAH O00519 5/20 0.44
CES1 P23141 2/20 0.41

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
SCHEMBL2001846 0.94 FAAH (0.41) FAAHCES1
SCHEMBL2003856 0.94 FAAH (0.40) FAAHCES1
SCHEMBL2001282 0.93 FAAH (0.42) FAAHCES1
SCHEMBL2007302 0.91 FAAH (0.43) FAAHCES1
SCHEMBL2002866 0.91 FAAH (0.41) FAAH
SCHEMBL2008081 0.91 FAAH (0.41) FAAHCES1
SCHEMBL2007801 0.89 FAAH (0.38) FAAH
SCHEMBL2002560 0.89 MAPT (0.40) FAAHCES1
SCHEMBL2003243 0.89 FAAH (0.47) FAAHCES1
SCHEMBL2008038 0.86 FAAH (0.39) 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