SCHEMBL7365136

SCHEMBL7365136

CCOC(=O)CN(CCCCc1ccc(NC(=N)N)cc1)c1cccc(C#N)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 6/20 0.42
PRSS1 P07477 6/20 0.42
PRSS2 P07478 6/20 0.42
PRSS3 P35030 6/20 0.42
F10 P00742 2/20 0.42
PLG P00747 2/20 0.42
PLAT P00750 2/20 0.42
F7 P08709 2/20 0.42
PPARG P37231 2/20 0.37
PPARA Q07869 1/20 0.36
SETD7 Q8WTS6 1/20 0.36
PDCD1 Q15116 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
PSMB5 P28074 1/20 0.35
ALOX15 P16050 1/20 0.35
MCHR1 Q99705 2/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 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
SCHEMBL7363931 0.88 F2 (0.55) F2PRSS1PRSS2PRSS3F10
SCHEMBL7368439 0.86 PDCD1 (0.40) F2PRSS1PRSS2PRSS3F10
SCHEMBL7360601 0.81 KCNH2 (0.44) PPARGPDCD1CD274CA12CA1
SCHEMBL7359452 0.80 PDCD1 (0.44) F2PRSS1PRSS2PRSS3PPARG
SCHEMBL7464051 0.79 PDCD1 (0.42) F2PRSS1PRSS2PRSS3PPARG
SCHEMBL7361441 0.78 FFAR1 (0.44) PPARGPDCD1CD274GFERMEN1
SCHEMBL7362903 0.76 F2 (0.56) F2PRSS1PRSS2PRSS3F10
SCHEMBL7362625 0.74 KCNH2 (0.46) PDCD1CD274CA12CA1CA2
SCHEMBL7362325 0.74 FFAR1 (0.42) F2PRSS1PRSS2PRSS3F10
SCHEMBL8119330 0.74 PDCD1 (0.44) SETD7PDCD1CD274GFERKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0892780-B1 M-AMIDINO PHENYL ANALOGS AS FACTOR Xa INHIBITORS BRISTOL MYERS SQUIBB PHARMA CO (US) 2002-11-20 EP disclosed
EP-0892780-A1 M-AMIDINO PHENYL ANALOGS AS FACTOR Xa INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1999-01-27 EP disclosed
WO-1997030971-A1 M-AMIDINO PHENYL ANALOGS AS FACTOR Xa INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1997-08-28 WO disclosed