SCHEMBL6980992

SCHEMBL6980992

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

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F10 P00742 16/20 0.61
PRSS1 P07477 14/20 0.61
KCNA5 P22460 1/20 0.36
GPR119 Q8TDV5 1/20 0.36
ALOX5AP P20292 1/20 0.36
FEN1 P39748 1/20 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
SCHEMBL6980989 1.00 F10 (0.61) F10PRSS1KCNA5GPR119ALOX5AP
SCHEMBL6981523 0.85 F10 (0.61) F10PRSS1
SCHEMBL6981524 0.85 F10 (0.61) F10PRSS1
SCHEMBL6985486 0.83 F10 (0.51) F10PRSS1
SCHEMBL6985483 0.83 F10 (0.51) F10PRSS1
SCHEMBL6985479 0.83 F10 (0.51) F10PRSS1
SCHEMBL6986095 0.80 F10 (0.49) F10PRSS1
SCHEMBL6986091 0.80 F10 (0.49) F10PRSS1
SCHEMBL6986090 0.80 F10 (0.49) F10PRSS1
SCHEMBL6980029 0.79 F10 (0.57) 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