SCHEMBL4811052

SCHEMBL4811052

CNC(=O)c1cc(-c2ccccc2Cc2cn(C)c3cc(C(=N)N)ccc23)c(C(=O)O)cc1OC

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 2/20 0.39
CPT2 P23786 1/20 0.39
CPT1B Q92523 1/20 0.39
PLA2G4A P47712 2/20 0.37
SCN9A Q15858 1/20 0.36
EPHX2 P34913 2/20 0.36
PPARG P37231 2/20 0.36
CYSLTR1 Q9Y271 2/20 0.36
CYSLTR2 Q9NS75 1/20 0.36
F2 P00734 1/20 0.36
F10 P00742 1/20 0.36
PRSS1 P07477 1/20 0.36

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
SCHEMBL4811723 0.84 F2 (0.43) PLA2G4APPARGF2F10PRSS1
SCHEMBL4812742 0.79 F2 (0.46) CPT1ACPT2CPT1BPLA2G4AF2
SCHEMBL4811788 0.74 CNR2 (0.41) PLA2G4APPARGF2F10
SCHEMBL4626809 0.74 ICMT (0.47) CYSLTR1CYSLTR2F2PRSS1
SCHEMBL6393014 0.74 PLA2G2A (0.41) PLA2G4APPARGF2F10
SCHEMBL4626912 0.74 GPR84 (0.48) CPT1ACPT1BF2F10PRSS1
SCHEMBL4808748 0.74 ALDH1A1 (0.43) PLA2G4APPARGF2F10PRSS1
SCHEMBL4657400 0.73 F10 (0.44) CYSLTR1CYSLTR2F2F10PRSS1
SCHEMBL4811885 0.73 F2 (0.41) PLA2G4APPARGF2F10PRSS1
SCHEMBL4809426 0.73 PLA2G2A (0.52) F2F10

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
US-7417063-B2 Bicyclic heterocycles useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-08-26 US claimed