SCHEMBL4019611

SCHEMBL4019611

COC(=O)c1c(C)oc(C)c1S(=O)(=O)N1CCc2c(ccnc2Nc2cnc3ccccc3c2)C1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 10/20 0.65
CNR1 P21554 1/20 0.44
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
CASP1 P29466 1/20 0.38
KMT2A Q03164 1/20 0.38
EPHX2 P34913 1/20 0.36
BRAF P15056 1/20 0.36
EIF2AK3 Q9NZJ5 1/20 0.36
ALPL P05186 1/20 0.36
USP30 Q70CQ3 1/20 0.35
ALDH1A1 P00352 2/20 0.35
TNF P01375 1/20 0.35
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL4011830 0.87 FAAH (0.65) FAAHEPHX2BRAFEIF2AK3ALPL
SCHEMBL4016142 0.85 FAAH (0.67) FAAHEPHX2BRAFEIF2AK3ALPL
SCHEMBL4014998 0.84 FAAH (0.70) FAAHEPHX2ALPLALDH1A1KDM4E
SCHEMBL3936641 0.83 FAAH (0.71) FAAHALDH1A1TNFLMNAMAPK1
SCHEMBL4007889 0.82 FAAH (0.67) FAAHEPHX2ALPLALDH1A1TNF
SCHEMBL3931250 0.82 FAAH (0.74) FAAHMEN1GAACASP1KMT2A
SCHEMBL4012470 0.81 FAAH (0.78) FAAHEPHX2ALPLALDH1A1LMNA
SCHEMBL3940445 0.81 FAAH (0.84) FAAHMEN1GAAKMT2AEPHX2
SCHEMBL3942809 0.80 FAAH (0.74) FAAHEPHX2ALPLALDH1A1TNF
SCHEMBL3943336 0.80 FAAH (0.77) FAAHEPHX2ALPLALDH1A1TNF

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-2009011904-A1 COMPOUNDS USEFUL AS FAAH MODULATORS AND USES THEREOF RENOVIS, INC. (US) 2009-01-22 WO disclosed