SCHEMBL7300995

SCHEMBL7300995

CCCCN(CCC(=O)O)C(=O)[C@H](CC(=O)N(C)C[C@@H]1CCCN(C=NN)C1)NS(=O)(=O)c1ccc2ccccc2c1

nearest known ligand 0.49

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
F2 P00734 11/20 0.43

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
Hydrochloric Acid SCHEMBL8947903 0.94 F2 (0.45) F2
Hydrochloric Acid SCHEMBL8716926 0.83 F2 (0.57) F2
SCHEMBL7296054 0.82 F2 (0.52) F2
Acetic Acid SCHEMBL8721804 0.82 F2 (0.43) F2
SCHEMBL8947671 0.82 F2 (0.53) F2
Acetic Acid SCHEMBL8719928 0.81 F2 (0.43) F2
Acetic Acid SCHEMBL8720013 0.81 F2 (0.43) F2
Hydrochloric Acid SCHEMBL9252332 0.81 F2 (0.47) F2
Acetic Acid SCHEMBL8947667 0.81 F2 (0.51) F2
SCHEMBL7300155 0.81 F2 (0.52) F2

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