SCHEMBL7450977

SCHEMBL7450977

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

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 1/20 0.41
F2 P00734 13/20 0.39
PRSS1 P07477 12/20 0.39
PRSS2 P07478 12/20 0.39
PRSS3 P35030 12/20 0.39
ALOX5AP P20292 5/20 0.38
FEN1 P39748 5/20 0.38
F10 P00742 2/20 0.37
PLG P00747 2/20 0.37
PLAT P00750 2/20 0.37
F7 P08709 2/20 0.37
TBXA2R P21731 1/20 0.35
PTGER1 P34995 1/20 0.35
PTGER4 P35408 1/20 0.35
PTGFR P43088 1/20 0.35
PTGER3 P43115 1/20 0.35
PTGER2 P43116 1/20 0.35
PTGIR P43119 1/20 0.35
PTGDR Q13258 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
SCHEMBL7357764 0.96 MMP3 (0.42) MMP3F2PRSS1PRSS2PRSS3
SCHEMBL7443741 0.89 F2 (0.46) MMP3F2PRSS1PRSS2PRSS3
SCHEMBL7434543 0.85 F2 (0.48) MMP3F2PRSS1PRSS2PRSS3
SCHEMBL7363801 0.84 MMP3 (0.43) MMP3F2PRSS1PRSS2PRSS3
SCHEMBL7365378 0.82 LTB4R (0.38)
SCHEMBL7360137 0.81 CA1 (0.36)
SCHEMBL7459611 0.80 MMP3 (0.44) MMP3F2PRSS1PRSS2PRSS3
SCHEMBL7365875 0.80 CA1 (0.35)
SCHEMBL7361085 0.75 PPARG (0.36)
SCHEMBL7454504 0.74 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 2 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