SCHEMBL9956255

SCHEMBL9956255

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

nearest known ligand 0.75

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.75
PLA2G2A P14555 1/20 0.36
SCN10A Q9Y5Y9 1/20 0.36
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
GAA P10253 1/20 0.35
PKM P14618 1/20 0.35
MAPK3 P27361 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
P2RY12 Q9H244 1/20 0.34
CHRNA7 P36544 2/20 0.33
KCNK3 O14649 1/20 0.33
KCNK9 Q9NPC2 1/20 0.33
PTGDR2 Q9Y5Y4 2/20 0.33
PTGS1 P23219 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
SCHEMBL9959182 0.94 FAAH (0.71) FAAHPLA2G2ASCN10AALDH1A1MAPT
SCHEMBL9959139 0.94 FAAH (0.65) FAAHPLA2G2AALDH1A1MAPTPKM
SCHEMBL9960034 0.92 FAAH (0.62) FAAHPLA2G2ASCN10AMAPT
SCHEMBL10242361 0.91 FAAH (0.62) FAAHPLA2G2ASCN10AALDH1A1MAPT
SCHEMBL9960948 0.90 FAAH (0.60) FAAHPLA2G2ASCN10AALDH1A1MAPT
SCHEMBL9960092 0.90 FAAH (0.60) FAAHPLA2G2ASCN10AMAPTMAPK3
SCHEMBL9960013 0.90 FAAH (0.60) FAAHPLA2G2ASCN10AALDH1A1MAPT
SCHEMBL10242573 0.90 FAAH (0.60) FAAHPLA2G2ASCN10AALDH1A1MAPT
SCHEMBL9960003 0.89 FAAH (0.59) FAAHSCN10AMAPK3RAB9AKCNK3
SCHEMBL9960022 0.88 FAAH (0.58) FAAHPLA2G2ASCN10AMAPK3

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