SCHEMBL7308142

SCHEMBL7308142

CCOC(=O)CCN(C(=O)C(CC(=O)NC[C@H]1CN(C=NNC(=O)OCC)CCO1)NS(=O)(=O)c1ccc2ccccc2c1)C1CC1

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
F2 P00734 13/20 0.46
PLAU P00749 1/20 0.37
PLAT P00750 1/20 0.37

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
SCHEMBL7306798 0.96 F2 (0.45) F2
SCHEMBL8947619 0.92 F2 (0.45) F2
SCHEMBL7307422 0.90 F2 (0.55) F2
Trifluoroacetic Acid SCHEMBL8948194 0.90 F2 (0.46) F2PLAUPLAT
SCHEMBL8947853 0.87 F2 (0.49) F2PLAUPLAT
SCHEMBL8947709 0.83 F2 (0.48) F2PLAUPLAT
Hydrochloric Acid SCHEMBL7306153 0.81 F2 (0.55) F2PLAUPLAT
SCHEMBL8947639 0.81 F2 (0.55) F2
SCHEMBL8947782 0.81 F2 (0.35) F2
Hydrochloric Acid SCHEMBL9168683 0.81 F2 (0.46) F2PLAT

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-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-5578594-A ANTICOAGULANTS HOFFMANN-LA ROCHE INC. (US) 1996-11-26 US 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