SCHEMBL7299083

SCHEMBL7299083

NN=CN1CCC[C@@H](CNC(=O)C[C@H](NS(=O)(=O)c2cccnc2)C(=O)N(CCC(=O)O)C2CC2)C1

nearest known ligand 0.44

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
F2 P00734 15/20 0.44
ALDH1A1 P00352 4/20 0.39

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
Trifluoroacetic Acid SCHEMBL7306625 0.90 F2 (0.43) F2ALDH1A1
SCHEMBL8947691 0.89 F2 (0.55) F2
SCHEMBL7305122 0.87 F2 (0.59) F2
SCHEMBL7303162 0.85 F2 (0.44) F2
SCHEMBL7294199 0.84 F2 (0.44) F2ALDH1A1
SCHEMBL7294950 0.83 F2 (0.37) F2
SCHEMBL7296699 0.83 F2 (0.52) F2
SCHEMBL7297455 0.83 F2 (0.41) F2
Acetic Acid SCHEMBL8719961 0.82 F2 (0.50) F2
Hydrochloric Acid SCHEMBL8716407 0.81 F2 (0.59) 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