SCHEMBL7294689

SCHEMBL7294689

CCOC(=O)CN(C(=O)[C@H](CC(=O)O)NS(=O)(=O)c1ccc2ccccc2c1)C1CC1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F2 P00734 10/20 0.47
GAA P10253 1/20 0.45
PLAT P00750 2/20 0.45
PLAU P00749 1/20 0.45
PLG P00747 2/20 0.44
F10 P00742 1/20 0.44
PRSS1 P07477 1/20 0.44
PRSS2 P07478 1/20 0.44
PRSS3 P35030 1/20 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
SCHEMBL9004947 1.00 F2 (0.47) F2GAAPLATPLAUPLG
SCHEMBL8720064 0.97 F2 (0.50) F2PLATPLGF10PRSS1
SCHEMBL8717231 0.96 F2 (0.51) F2PLATPLGF10PRSS1
SCHEMBL8719611 0.96 F2 (0.51) F2PLATPLGF10PRSS1
SCHEMBL7302360 0.90 ACACB (0.45) F2GAAPLATPLAUPLG
SCHEMBL8717263 0.89 ADAMTS4 (0.47) F2
SCHEMBL7332989 0.87 F2 (0.47) F2PLATPLGF10PRSS1
SCHEMBL7332615 0.87 F2 (0.49) F2PLATPLGF10PRSS1
SCHEMBL8716462 0.86 GAA (0.49) F2GAAPLATPLGF10
SCHEMBL8719583 0.86 F2 (0.48) F2PLATPLGF10PRSS1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5536867-A Process for the manufacture of dicarboxamides HOFFMANN-LA ROCHE INC. (US) 1996-07-16 US claimed
EP-0684238-A2 Process for the manufacture of dicarboxamides F. HOFFMANN-LA ROCHE AG (CH) 1995-11-29 EP claimed
EP-0559046-B1 N-amidinopiperidinyl(3/4)- or N-amidino-1,4-Oxazinyl(2)-substituted sulfonamides, process for their preparation and use as thrombin inhibitors HOFFMANN LA ROCHE (CH) 2001-07-11 EP disclosed
US-5856505-A Intermediates for the manufacture of dicarboxamides having thrombin inhibiting activity HOFFMANN-LA ROCHE INC. (US) 1999-01-05 US disclosed
US-5763604-A ANTICOAGULANTS HOFFMANN-LA ROCHE INC. (US) 1998-06-09 US disclosed
US-5677448-A CHEMICAL INTERMEDIATES FOR MAKING ANTAGONIST OF THROMBIN, TREATING THROMBOSIS, STROKE, INFLAMMATION, ARTERIOSCLEROSIS, CARDIOVASCULAR DISORDERS HOFFMANN-LA ROCHE INC. (US) 1997-10-14 US disclosed
US-5578594-A ANTICOAGULANTS HOFFMANN-LA ROCHE INC. (US) 1996-11-26 US disclosed
US-5536867-A Process for the manufacture of dicarboxamides HOFFMANN-LA ROCHE INC. (US) 1996-07-16 US disclosed
EP-0684238-A2 Process for the manufacture of dicarboxamides F. HOFFMANN-LA ROCHE AG (CH) 1995-11-29 EP disclosed
US-5405854-A Anticoagulants HOFFMANN-LA ROCHE INC. (US) 1995-04-11 US disclosed
EP-0559046-A1 N-amidinopiperidinyl(3/4)- or N-amidino-1,4-Oxazinyl(2)-substituted sulfonamides, process for their preparation and use as thrombin inhibitors F.HOFFMANN-LA ROCHE & CO. AKTIENGESELLSCHAFT (CH) 1993-09-08 EP disclosed