SCHEMBL9960948

SCHEMBL9960948

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

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.60
SCN10A Q9Y5Y9 3/20 0.35
MAPT P10636 4/20 0.32
TP53 P04637 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
PLA2G2A P14555 2/20 0.32
SORT1 Q99523 1/20 0.32
P2RX3 P56373 1/20 0.32
MAPK1 P28482 1/20 0.31
CNR1 P21554 1/20 0.31
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
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
PKM P14618 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
SCHEMBL9960022 0.94 FAAH (0.58) FAAHSCN10APLA2G2ASORT1P2RX3
SCHEMBL10242361 0.92 FAAH (0.62) FAAHSCN10AMAPTPLA2G2ASORT1
SCHEMBL9960092 0.91 FAAH (0.60) FAAHSCN10AMAPTTP53RXFP1
SCHEMBL9956255 0.90 FAAH (0.75) FAAHSCN10AMAPTPLA2G2AMAPK3
SCHEMBL10242573 0.89 FAAH (0.60) FAAHSCN10AMAPTTP53RXFP1
SCHEMBL9960013 0.89 FAAH (0.60) FAAHSCN10AMAPTTP53RXFP1
SCHEMBL9959182 0.89 FAAH (0.71) FAAHSCN10AMAPTPLA2G2ACNR1
SCHEMBL9959139 0.88 FAAH (0.65) FAAHMAPTPLA2G2AMAPK1ALDH1A1
SCHEMBL9960034 0.88 FAAH (0.62) FAAHSCN10AMAPTPLA2G2A
SCHEMBL9953106 0.86 FAAH (0.80) FAAHMAPTTP53RXFP1PLA2G2A

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