SCHEMBL7368049

SCHEMBL7368049

COC(=O)CN(CCc1ccc(-c2ccccc2S(=O)(=O)NC(C)(C)C)cc1)c1cccc(C#N)c1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F2 P00734 15/20 0.59
PRSS1 P07477 14/20 0.59
PRSS2 P07478 14/20 0.59
PRSS3 P35030 14/20 0.59
F10 P00742 3/20 0.54
PLG P00747 2/20 0.54
PLAT P00750 2/20 0.54
F7 P08709 2/20 0.54
ALOX5AP P20292 3/20 0.40
FEN1 P39748 3/20 0.40

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
SCHEMBL7459605 0.96 F2 (0.59) F2PRSS1PRSS2PRSS3F10
SCHEMBL7454491 0.85 F2 (0.43) F2PRSS1PRSS2PRSS3F10
SCHEMBL7450967 0.85 F2 (0.81) F2PRSS1PRSS2PRSS3F10
Trifluoroacetic Acid SCHEMBL7457243 0.82 F2 (0.84) F2PRSS1PRSS2PRSS3F10
SCHEMBL7363801 0.81 MMP3 (0.43) F2PRSS1PRSS2PRSS3F10
SCHEMBL7454642 0.81 F2 (0.82) F2PRSS1PRSS2PRSS3F10
SCHEMBL7459611 0.79 MMP3 (0.44) F2PRSS1PRSS2PRSS3F10
SCHEMBL7057459 0.78 RORC (0.44) F10ALOX5APFEN1
SCHEMBL7365001 0.78 ALOX5AP (0.42) F2PRSS1PRSS2PRSS3F10
SCHEMBL7358633 0.78 ALOX5AP (0.43) F2PRSS1PRSS2PRSS3ALOX5AP

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