SCHEMBL10242361

SCHEMBL10242361

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

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.62
SCN10A Q9Y5Y9 1/20 0.36
PLA2G2A P14555 2/20 0.34
MAPK3 P27361 1/20 0.33
CCNK O75909 1/20 0.32
CCNA2 P20248 1/20 0.32
CDK2 P24941 1/20 0.32
CDK9 P50750 1/20 0.32
CNR1 P21554 1/20 0.32
KCNK3 O14649 1/20 0.31
KCNK9 Q9NPC2 1/20 0.31
MAPT P10636 3/20 0.31
LMNA P02545 1/20 0.31
WNT1 P04628 1/20 0.31
DYRK1A Q13627 1/20 0.31
SORT1 Q99523 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
PKM P14618 1/20 0.31
HDAC4 P56524 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 0.94 FAAH (0.60) FAAHSCN10APLA2G2AMAPK3MAPT
SCHEMBL9960092 0.92 FAAH (0.60) FAAHSCN10APLA2G2AMAPK3CNR1
SCHEMBL9960013 0.92 FAAH (0.60) FAAHSCN10APLA2G2AMAPK3CNR1
SCHEMBL9960948 0.92 FAAH (0.60) FAAHSCN10APLA2G2AMAPK3CNR1
SCHEMBL9956255 0.91 FAAH (0.75) FAAHSCN10APLA2G2AMAPK3KCNK3
SCHEMBL9959182 0.90 FAAH (0.71) FAAHSCN10APLA2G2ACNR1MAPT
SCHEMBL9959139 0.90 FAAH (0.65) FAAHPLA2G2AMAPTLMNAALDH1A1
SCHEMBL9960034 0.89 FAAH (0.62) FAAHSCN10APLA2G2AMAPT
SCHEMBL9960022 0.89 FAAH (0.58) FAAHSCN10APLA2G2AMAPK3SORT1
SCHEMBL9960003 0.87 FAAH (0.59) FAAHSCN10AMAPK3CCNKCCNA2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012088431-A1 FAAH INHIBITORS IRONWOOD PHARMACEUTICALS, INC. (US) 2012-06-28 WO disclosed