SCHEMBL6984364

SCHEMBL6984364

COC(=O)[C@H]1CN(S(=O)(=O)c2ccc(-c3ccccc3S(=O)(=O)NC(C)(C)C)cc2)C[C@@H]1c1cccc(C#N)c1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F10 P00742 12/20 0.43
PRSS1 P07477 10/20 0.43
GPR119 Q8TDV5 1/20 0.37
PAX8 Q06710 2/20 0.37
BCL9 O00512 1/20 0.36
CTNNB1 P35222 1/20 0.36
ALOX5AP P20292 2/20 0.36
FEN1 P39748 2/20 0.36

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
SCHEMBL6984369 1.00 F10 (0.43) F10PRSS1GPR119PAX8BCL9
SCHEMBL6981524 0.85 F10 (0.61) F10PRSS1
SCHEMBL6981523 0.85 F10 (0.61) F10PRSS1
SCHEMBL6983088 0.81 HCRTR1 (0.40)
SCHEMBL6983085 0.81 HCRTR1 (0.40)
SCHEMBL6983084 0.81 HCRTR1 (0.40)
SCHEMBL6982721 0.81 F10 (0.46) F10PRSS1GPR119PAX8ALOX5AP
SCHEMBL6977215 0.81 F10 (0.38) F10PRSS1
SCHEMBL6980989 0.79 F10 (0.61) F10PRSS1GPR119ALOX5APFEN1
SCHEMBL6980992 0.79 F10 (0.61) F10PRSS1GPR119ALOX5APFEN1

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 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
EP-0934265-A1 AMIDINOPHENYL-PYRROLIDINES, -PYRROLINES, AND -ISOXAZOLIDINES AND DERIVATIVES THEREOF Du Pont Pharmaceuticals Company (US) 1999-08-11 EP disclosed
WO-1998006694-A1 AMIDINOPHENYL-PYRROLIDINES, -PYRROLINES, AND -ISOXAZOLIDINES AND DERIVATIVES THEREOF DU PONT PHARMACEUTICALS COMPANY (US) 1998-02-19 WO disclosed