SCHEMBL7302676

SCHEMBL7302676

CN(C(=O)C[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)N(CC(=O)O)C1CC1)C1CCN(C(=N)N)CC1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F2 P00734 17/20 0.52
F10 P00742 2/20 0.50
PLG P00747 2/20 0.50
PLAU P00749 1/20 0.50
ST14 Q9Y5Y6 1/20 0.50
PLAT P00750 1/20 0.48
PRSS1 P07477 1/20 0.48
PRSS2 P07478 1/20 0.48
PRSS3 P35030 1/20 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
Hydrochloric Acid SCHEMBL8947560 0.92 F2 (0.51) F2F10PLGPLAUST14
Hydrochloric Acid SCHEMBL8947783 0.91 F2 (0.55) F2
Hydrochloric Acid SCHEMBL8947620 0.91 F2 (0.55) F2
Hydrochloric Acid SCHEMBL9172115 0.91 F2 (0.55) F2
Hydrochloric Acid SCHEMBL8947713 0.89 F2 (0.51) F2F10PLGPLAUST14
Hydrochloric Acid SCHEMBL8947687 0.88 F2 (0.48) F2F10PLGPLAUST14
SCHEMBL7306679 0.88 F2 (0.52) F2F10PLGPLATPRSS1
Hydrochloric Acid SCHEMBL8947737 0.87 F2 (0.52) F2F10PLGPLATPRSS1
SCHEMBL8947770 0.87 F2 (0.63) F2
SCHEMBL7304953 0.86 F2 (0.51) 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 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