SCHEMBL2005391

SCHEMBL2005391

CCOc1ccc2c(c1)c(C(=O)c1ncc(-c3ccccn3)o1)c(C(F)(F)F)n2Cc1ccc(Cl)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
F2RL3 Q96RI0 1/20 0.37
FAAH O00519 4/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL2000385 0.94 FAAH (0.38) F2RL3FAAH
SCHEMBL2002866 0.92 FAAH (0.41) FAAH
SCHEMBL2008081 0.91 FAAH (0.41) FAAH
SCHEMBL2002426 0.91 SLC26A4 (0.34) F2RL3FAAHLMNASMN1; SMN2
SCHEMBL2006766 0.91 F2RL3 (0.40) F2RL3LMNASMN1; SMN2
SCHEMBL1999529 0.91 FAAH (0.40) FAAHLMNASMN1; SMN2
SCHEMBL2003039 0.90 FAAH (0.38) FAAH
SCHEMBL2008038 0.89 FAAH (0.39) FAAHLMNA
SCHEMBL2003836 0.89 FAAH (0.41) FAAHLMNA
SCHEMBL2004340 0.89 F2RL3 (0.37) F2RL3FAAHLMNASMN1; SMN2

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