SCHEMBL7304323

SCHEMBL7304323

C=CCN(CCC(=O)O)C(=O)[C@H](CC(=O)NC[C@@H]1CN(C=NN)CCO1)NS(=O)(=O)c1ccc2ccccc2c1

nearest known ligand 0.44

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
F2 P00734 14/20 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
SCHEMBL7304313 0.89 F2 (0.55) F2
SCHEMBL8947600 0.88 F2 (0.54) F2
Hydrochloric Acid SCHEMBL8947735 0.87 F2 (0.54) F2
SCHEMBL8719625 0.86 F2 (0.39) F2
SCHEMBL9169944 0.82 F2 (0.55) F2
SCHEMBL7299001 0.79 F2 (0.69) F2
Trifluoroacetic Acid SCHEMBL8948194 0.79 F2 (0.46) F2
Hydrochloric Acid SCHEMBL8947731 0.78 F2 (0.70) F2
SCHEMBL7304964 0.78 F2 (0.48) F2
SCHEMBL7306798 0.78 F2 (0.45) 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 2 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
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