SCHEMBL7306791

SCHEMBL7306791

CCOC(=O)NC(=N)N1CCOC(N(C)C(=O)C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N(CCC(=O)O)C2CC2)C1

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
F2 P00734 12/20 0.41
PLAU P00749 2/20 0.40
PLAT P00750 1/20 0.40
PLG P00747 1/20 0.40

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
SCHEMBL8947709 0.88 F2 (0.48) F2PLAUPLATPLG
SCHEMBL8947853 0.84 F2 (0.49) F2PLAUPLATPLG
SCHEMBL8947615 0.82 F2 (0.49) F2PLAUPLATPLG
Hydrochloric Acid SCHEMBL8947560 0.80 F2 (0.51) F2PLAUPLG
SCHEMBL8947601 0.79 F2 (0.62) F2
SCHEMBL8947637 0.77 F2 (0.62) F2
SCHEMBL8947598 0.76 F2 (0.43) F2PLAU
SCHEMBL7306798 0.76 F2 (0.45) F2
Hydrochloric Acid SCHEMBL8574444 0.75 F2 (0.63) F2PLAUPLG
SCHEMBL7302676 0.74 F2 (0.52) F2PLAUPLATPLG

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