SCHEMBL7443741

SCHEMBL7443741

CC(C(=O)O)N(CCc1ccc(-c2ccccc2S(N)(=O)=O)cc1)c1cccc(C=NN)c1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F2 P00734 16/20 0.46
PRSS1 P07477 15/20 0.46
PRSS2 P07478 15/20 0.46
PRSS3 P35030 15/20 0.46
F10 P00742 3/20 0.44
PLG P00747 2/20 0.44
PLAT P00750 2/20 0.44
F7 P08709 2/20 0.44
MMP3 P08254 1/20 0.38

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
SCHEMBL7434543 0.96 F2 (0.48) F2PRSS1PRSS2PRSS3F10
SCHEMBL7450977 0.89 MMP3 (0.41) F2PRSS1PRSS2PRSS3F10
SCHEMBL7365378 0.86 LTB4R (0.38)
SCHEMBL7357764 0.85 MMP3 (0.42) F2PRSS1PRSS2PRSS3F10
SCHEMBL7360137 0.85 CA1 (0.36)
SCHEMBL7365875 0.83 CA1 (0.35)
SCHEMBL7361085 0.78 PPARG (0.36)
SCHEMBL7363801 0.72 MMP3 (0.43) F2PRSS1PRSS2PRSS3F10
SCHEMBL7459611 0.68 MMP3 (0.44) F2PRSS1PRSS2PRSS3F10
SCHEMBL7801644 0.66 SCN9A (0.55) F2PRSS1PRSS2PRSS3MMP3

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