SCHEMBL9960013

SCHEMBL9960013

COc1cc(NC(=O)C(=O)c2c(C)n(Cc3ncc(Cl)s3)c3cc(OC)c(Cl)cc23)ccn1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.60
SCN10A Q9Y5Y9 1/20 0.35
MALT1 Q9UDY8 4/20 0.34
HTT P42858 1/20 0.32
MAPK3 P27361 1/20 0.32
PLA2G2A P14555 2/20 0.32
MAPT P10636 3/20 0.32
RXFP1 Q9HBX9 2/20 0.32
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31
GRM4 Q14833 2/20 0.31
TP53 P04637 2/20 0.31
ALDH1A1 P00352 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
CNR1 P21554 1/20 0.31

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
SCHEMBL10242573 0.97 FAAH (0.60) FAAHSCN10AMALT1HTTMAPK3
SCHEMBL9960092 0.92 FAAH (0.60) FAAHSCN10AMALT1MAPK3PLA2G2A
SCHEMBL10242361 0.92 FAAH (0.62) FAAHSCN10AMAPK3PLA2G2AMAPT
SCHEMBL9960022 0.91 FAAH (0.58) FAAHSCN10AMAPK3PLA2G2AGRM4
SCHEMBL9956255 0.90 FAAH (0.75) FAAHSCN10AMAPK3PLA2G2AMAPT
SCHEMBL9960948 0.89 FAAH (0.60) FAAHSCN10AMAPK3PLA2G2AMAPT
SCHEMBL9959182 0.89 FAAH (0.71) FAAHSCN10APLA2G2AMAPTALDH1A1
SCHEMBL9959139 0.88 FAAH (0.65) FAAHPLA2G2AMAPTALDH1A1
SCHEMBL9960034 0.88 FAAH (0.62) FAAHSCN10APLA2G2AMAPT
SCHEMBL9959484 0.86 FAAH (0.80) FAAHSCN10APLA2G2AMAPTALDH1A1

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