SCHEMBL7303162

SCHEMBL7303162

N#Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)NC[C@@H]2CCCN(C=NN)C2)C(=O)N(CCC(=O)O)C2CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
F2 P00734 19/20 0.44
EEF2K O00418 1/20 0.36

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 SCHEMBL7306115 0.91 F2 (0.47) F2
SCHEMBL8947654 0.89 F2 (0.55) F2
SCHEMBL7294015 0.89 MMP2 (0.39) F2EEF2K
SCHEMBL7305122 0.87 F2 (0.59) F2
SCHEMBL7294199 0.87 F2 (0.44) F2
SCHEMBL7299083 0.85 F2 (0.44) F2
SCHEMBL7297455 0.85 F2 (0.41) F2
SCHEMBL7294950 0.83 F2 (0.37) F2
Hydrochloric Acid SCHEMBL8716407 0.81 F2 (0.59) F2
Hydrochloric Acid SCHEMBL8947551 0.81 F2 (0.57) 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 3 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