SCHEMBL9960092

SCHEMBL9960092

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

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.60
SCN10A Q9Y5Y9 1/20 0.35
TP53 P04637 2/20 0.33
MAPT P10636 2/20 0.33
RXFP1 Q9HBX9 2/20 0.33
CNR1 P21554 1/20 0.33
PLA2G2A P14555 2/20 0.32
KDR P35968 2/20 0.32
MALT1 Q9UDY8 2/20 0.31
GRM4 Q14833 1/20 0.31
TRPA1 O75762 1/20 0.30
MAPK3 P27361 1/20 0.30
KCNK3 O14649 1/20 0.30
KCNK9 Q9NPC2 1/20 0.30
WNT1 P04628 1/20 0.30
DYRK1A Q13627 1/20 0.30
PDGFRA P16234 1/20 0.30

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 0.94 FAAH (0.60) FAAHSCN10ATP53MAPTRXFP1
SCHEMBL9960022 0.92 FAAH (0.58) FAAHSCN10APLA2G2AKDRGRM4
SCHEMBL9960013 0.92 FAAH (0.60) FAAHSCN10ATP53MAPTRXFP1
SCHEMBL10242361 0.92 FAAH (0.62) FAAHSCN10AMAPTCNR1PLA2G2A
SCHEMBL9960948 0.91 FAAH (0.60) FAAHSCN10ATP53MAPTRXFP1
SCHEMBL9956255 0.90 FAAH (0.75) FAAHSCN10AMAPTPLA2G2AMAPK3
SCHEMBL9959182 0.89 FAAH (0.71) FAAHSCN10AMAPTCNR1PLA2G2A
SCHEMBL9959139 0.88 FAAH (0.65) FAAHMAPTPLA2G2A
SCHEMBL9960034 0.88 FAAH (0.62) FAAHSCN10AMAPTPLA2G2A
SCHEMBL9953124 0.86 FAAH (0.80) FAAHSCN10AMAPTCNR1PLA2G2A

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