SCHEMBL7299334

SCHEMBL7299334

CN(C(=O)C[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)N(CC(=O)O)C1CC1)[C@H]1CCCN(CNC(=O)OC(C)(C)C=N)C1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F2 P00734 17/20 0.41
F10 P00742 1/20 0.38
PLG P00747 1/20 0.38
PLAT P00750 1/20 0.38
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38

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
SCHEMBL7303923 0.83 F2 (0.44) F2F10PLGPLATPRSS1
SCHEMBL8947598 0.82 F2 (0.43) F2F10
Hydrochloric Acid SCHEMBL9172115 0.81 F2 (0.55) F2
Hydrochloric Acid SCHEMBL8947620 0.81 F2 (0.55) F2
Hydrochloric Acid SCHEMBL8947783 0.81 F2 (0.55) F2
SCHEMBL7302676 0.77 F2 (0.52) F2F10PLGPLATPRSS1
SCHEMBL8947658 0.74 F2 (0.52) F2F10
SCHEMBL7298712 0.74 F2 (0.50) F2
SCHEMBL8947607 0.73 F2 (0.59) F2
Acetic Acid SCHEMBL8947561 0.73 F2 (0.53) F2F10

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-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