SCHEMBL6979424

SCHEMBL6979424

CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(NC(=O)C2CN(S(C)(=O)=O)CC2c2cccc(C(=N)N)c2)nc1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F10 P00742 18/20 0.51
PRSS1 P07477 12/20 0.46
F2 P00734 3/20 0.44
PRSS2 P07478 2/20 0.44
PRSS3 P35030 2/20 0.44

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
SCHEMBL6978219 0.91 F10 (0.55) F10PRSS1F2PRSS2PRSS3
SCHEMBL6985029 0.90 F10 (0.51) F10PRSS1F2
SCHEMBL6982421 0.86 F10 (0.52) F10
SCHEMBL6165376 0.81 F10 (0.51) F10PRSS1F2PRSS2PRSS3
SCHEMBL6982485 0.80 F10 (0.62) F10PRSS1F2
SCHEMBL6978062 0.80 F10 (0.62) F10PRSS1F2
SCHEMBL6166516 0.78 PRSS1 (0.55) F10PRSS1F2PRSS2PRSS3
Trifluoroacetic Acid SCHEMBL7108045 0.78 F10 (0.54) F10PRSS1F2PRSS2PRSS3
Trifluoroacetic Acid SCHEMBL7102864 0.75 F10 (0.60) F10PRSS1F2PRSS2PRSS3
SCHEMBL6982721 0.75 F10 (0.46) F10PRSS1

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-0934265-B1 AMIDINOPHENYL-PYRROLIDINES, -PYRROLINES, AND -ISOXAZOLIDINES AND DERIVATIVES THEREOF BRISTOL MYERS SQUIBB PHARMA CO (US) 2003-01-02 EP claimed
US-6057342-A INHIBITORS OF TRYPSIN-LIKE SERINE PROTEASE ENZYMES, ESPECIALLY FACTOR XA, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME, AND METHODS OF USING THE SAME AS ANTICOAGULANT AGENTS FOR TREATMENT AND PREVENTION OF THROMBOEMBOLIC DISORDERS DUPONT PHARMACEUTICAL CO. (US) 2000-05-02 US claimed
EP-0934265-B1 AMIDINOPHENYL-PYRROLIDINES, -PYRROLINES, AND -ISOXAZOLIDINES AND DERIVATIVES THEREOF BRISTOL MYERS SQUIBB PHARMA CO (US) 2003-01-02 EP disclosed
US-6057342-A INHIBITORS OF TRYPSIN-LIKE SERINE PROTEASE ENZYMES, ESPECIALLY FACTOR XA, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME, AND METHODS OF USING THE SAME AS ANTICOAGULANT AGENTS FOR TREATMENT AND PREVENTION OF THROMBOEMBOLIC DISORDERS DUPONT PHARMACEUTICAL CO. (US) 2000-05-02 US disclosed