SCHEMBL7357764

SCHEMBL7357764

CC(C(=O)O)N(CCCc1ccc(-c2ccccc2S(=O)(=O)NC(C)(C)C)cc1)c1cccc(C=NN)c1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 1/20 0.42
F2 P00734 14/20 0.40
PRSS1 P07477 13/20 0.40
PRSS2 P07478 13/20 0.40
PRSS3 P35030 13/20 0.40
F10 P00742 2/20 0.40
PLG P00747 2/20 0.40
PLAT P00750 2/20 0.40
F7 P08709 2/20 0.40
ALOX5AP P20292 5/20 0.37
FEN1 P39748 5/20 0.37

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
SCHEMBL7450977 0.96 MMP3 (0.41) MMP3F2PRSS1PRSS2PRSS3
SCHEMBL7434543 0.89 F2 (0.48) MMP3F2PRSS1PRSS2PRSS3
SCHEMBL7443741 0.85 F2 (0.46) MMP3F2PRSS1PRSS2PRSS3
SCHEMBL7459611 0.85 MMP3 (0.44) MMP3F2PRSS1PRSS2PRSS3
SCHEMBL7363801 0.80 MMP3 (0.43) MMP3F2PRSS1PRSS2PRSS3
SCHEMBL7361085 0.80 PPARG (0.36)
SCHEMBL7365378 0.78 LTB4R (0.38)
SCHEMBL7360137 0.77 CA1 (0.36)
SCHEMBL7365875 0.75 CA1 (0.35)
SCHEMBL7454504 0.73 ALOX5AP (0.38) MMP3ALOX5APFEN1

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 4 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 claimed
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