SCHEMBL9959182

SCHEMBL9959182

COc1cc(NC(=O)C(=O)c2c(C)n(Cc3ncc(Cl)s3)c3ccc(Cl)cc23)ccn1

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.71
PLA2G4A P47712 1/20 0.38
PLA2G2A P14555 1/20 0.36
SCN10A Q9Y5Y9 1/20 0.36
MAPT P10636 2/20 0.35
CNR1 P21554 1/20 0.35
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
PKM P14618 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
PROKR1 Q8TCW9 1/20 0.33
KRAS P01116 1/20 0.33
NPY5R Q15761 1/20 0.33

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 0.94 FAAH (0.75) FAAHPLA2G2ASCN10AMAPTALDH1A1
SCHEMBL9959139 0.93 FAAH (0.65) FAAHPLA2G2AMAPTALDH1A1PKM
SCHEMBL9960034 0.91 FAAH (0.62) FAAHPLA2G2ASCN10AMAPT
SCHEMBL10242361 0.90 FAAH (0.62) FAAHPLA2G2ASCN10AMAPTCNR1
SCHEMBL9960948 0.89 FAAH (0.60) FAAHPLA2G2ASCN10AMAPTCNR1
SCHEMBL10242573 0.89 FAAH (0.60) FAAHPLA2G2ASCN10AMAPTALDH1A1
SCHEMBL9960092 0.89 FAAH (0.60) FAAHPLA2G2ASCN10AMAPTCNR1
SCHEMBL9960013 0.89 FAAH (0.60) FAAHPLA2G2ASCN10AMAPTCNR1
SCHEMBL9960022 0.88 FAAH (0.58) FAAHPLA2G2ASCN10A
SCHEMBL2169687 0.87 FAAH (0.91) FAAHPLA2G4APLA2G2AMAPTALDH1A1

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