SCHEMBL7459605

SCHEMBL7459605

COC(=O)CN(CCCc1ccc(-c2ccccc2S(=O)(=O)NC(C)(C)C)cc1)c1cccc(C#N)c1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F2 P00734 16/20 0.59
PRSS1 P07477 15/20 0.59
PRSS2 P07478 15/20 0.59
PRSS3 P35030 15/20 0.59
F10 P00742 3/20 0.59
PLG P00747 2/20 0.59
PLAT P00750 2/20 0.59
F7 P08709 2/20 0.59
ALOX5AP P20292 1/20 0.39
FEN1 P39748 1/20 0.39
MMP3 P08254 1/20 0.39

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
SCHEMBL7368049 0.96 F2 (0.59) F2PRSS1PRSS2PRSS3F10
SCHEMBL7454642 0.85 F2 (0.82) F2PRSS1PRSS2PRSS3F10
SCHEMBL7454491 0.85 F2 (0.43) F2PRSS1PRSS2PRSS3F10
SCHEMBL7459611 0.82 MMP3 (0.44) F2PRSS1PRSS2PRSS3F10
SCHEMBL7450967 0.81 F2 (0.81) F2PRSS1PRSS2PRSS3F10
Trifluoroacetic Acid SCHEMBL7457243 0.80 F2 (0.84) F2PRSS1PRSS2PRSS3F10
SCHEMBL7363801 0.79 MMP3 (0.43) F2PRSS1PRSS2PRSS3F10
SCHEMBL7057459 0.78 RORC (0.44) F10ALOX5APFEN1MMP3
SCHEMBL7365001 0.77 ALOX5AP (0.42) F2PRSS1PRSS2PRSS3F10
SCHEMBL7358633 0.77 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 1 patent. 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