SCHEMBL7300402

SCHEMBL7300402

N=C(N)N1CCC[C@@H](CC[C@H](NS(=O)(=O)c2ccc(C3CCCC3)cc2)C(=O)N(CCC(=O)O)C2CC2)C1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F2 P00734 20/20 0.48
F10 P00742 4/20 0.48
PLG P00747 4/20 0.48
PLAU P00749 4/20 0.48
ST14 Q9Y5Y6 4/20 0.48

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
SCHEMBL27383153 0.90 F2 (0.47) F2F10PLGPLAUST14
Hydrochloric Acid SCHEMBL8947669 0.90 F2 (0.47) F2F10PLGPLAUST14
SCHEMBL7300413 0.88 F2 (0.43) F2F10PLGPLAUST14
Hydrochloric Acid SCHEMBL7306256 0.79 F2 (0.41) F2F10PLGPLAUST14
SCHEMBL8947654 0.77 F2 (0.55) F2
SCHEMBL7294190 0.76 F2 (0.55) F2
SCHEMBL7299062 0.76 F2 (0.43) F2F10PLGPLAUST14
SCHEMBL7294009 0.74 F2 (0.41) F2ST14
SCHEMBL8947691 0.74 F2 (0.55) F2
SCHEMBL8717139 0.73 F2 (0.46) F2F10PLGPLAUST14

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 5 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
CN-1076690-A SULFONAMIDOCARBOXAMIDES HOFFMANN LA ROCHE (CH) 1993-09-29 CN 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