SCHEMBL9960034

SCHEMBL9960034

COc1cc(NC(=O)C(=O)c2c(C)n(Cc3ncc(Cl)s3)c3ccccc23)ccn1

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.62
MAPT P10636 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
PLA2G2A P14555 2/20 0.36
SCN10A Q9Y5Y9 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
SCHEMBL9956255 0.92 FAAH (0.75) FAAHMAPTPLA2G2ASCN10A
SCHEMBL9959182 0.91 FAAH (0.71) FAAHMAPTPLA2G2ASCN10A
SCHEMBL9959139 0.90 FAAH (0.65) FAAHMAPTPLA2G2A
SCHEMBL10242361 0.89 FAAH (0.62) FAAHMAPTPLA2G2ASCN10A
SCHEMBL9960948 0.88 FAAH (0.60) FAAHMAPTPLA2G2ASCN10A
SCHEMBL10242573 0.88 FAAH (0.60) FAAHMAPTPLA2G2ASCN10A
SCHEMBL9960013 0.88 FAAH (0.60) FAAHMAPTPLA2G2ASCN10A
SCHEMBL9960092 0.88 FAAH (0.60) FAAHMAPTPLA2G2ASCN10A
SCHEMBL9960003 0.88 FAAH (0.59) FAAHSCN10A
SCHEMBL9960022 0.87 FAAH (0.58) FAAHPLA2G2ASCN10A

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
WO-2012088431-A1 FAAH INHIBITORS IRONWOOD PHARMACEUTICALS, INC. (US) 2012-06-28 WO disclosed
WO-2012088431-A1 FAAH INHIBITORS IRONWOOD PHARMACEUTICALS, INC. (US) 2012-06-28 WO disclosed