SCHEMBL6981523

SCHEMBL6981523

COC(=O)[C@H]1CN(Cc2ccc(-c3ccccc3S(=O)(=O)NC(C)(C)C)cc2)C[C@@H]1c1cccc(C#N)c1

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
F10 P00742 20/20 0.61
PRSS1 P07477 12/20 0.61

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
SCHEMBL6981524 1.00 F10 (0.61) F10PRSS1
SCHEMBL6980029 0.92 F10 (0.57) F10PRSS1
SCHEMBL6984372 0.90 F10 (0.75) F10PRSS1
SCHEMBL6984366 0.90 F10 (0.75) F10PRSS1
SCHEMBL6980989 0.85 F10 (0.61) F10PRSS1
SCHEMBL6980992 0.85 F10 (0.61) F10PRSS1
SCHEMBL6984364 0.85 F10 (0.43) F10PRSS1
SCHEMBL6984369 0.85 F10 (0.43) F10PRSS1
SCHEMBL6986034 0.82 F10 (0.51) F10PRSS1
SCHEMBL6986028 0.82 F10 (0.51) 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 2 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