SCHEMBL7146072

SCHEMBL7146072

COc1cc([C@@H](Nc2ccc(C(=N)N)cc2)C(=O)N[C@H](C(=O)O)c2ccccc2)c(NS(=O)(=O)c2ccccc2)cc1OCc1ccccc1

nearest known ligand 0.79

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F7 P08709 15/20 0.79
F2 P00734 14/20 0.79
PRSS1 P07477 13/20 0.79
F10 P00742 13/20 0.79
F3 P13726 5/20 0.60
PRSS2 P07478 3/20 0.60
PRSS3 P35030 3/20 0.60
MRGPRX1 Q96LB2 1/20 0.44
HPN P05981 2/20 0.41
PLAU P00749 1/20 0.41
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40

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
SCHEMBL7143764 1.00 F7 (0.79) F7F2PRSS1F10F3
SCHEMBL8121774 1.00 F7 (0.79) F7F2PRSS1F10F3
SCHEMBL8113415 1.00 F7 (0.79) F7F2PRSS1F10F3
Acetic Acid SCHEMBL8127497 0.99 F7 (0.77) F7F2PRSS1F10F3
Acetic Acid SCHEMBL8122361 0.99 F7 (0.77) F7F2PRSS1F10F3
SCHEMBL8127501 0.93 F7 (0.69) F7F2PRSS1F10F3
SCHEMBL8122369 0.93 F7 (0.69) F7F2PRSS1F10F3
SCHEMBL7142896 0.89 F2 (0.78) F7F2PRSS1F10F3
SCHEMBL8126867 0.88 F7 (0.76) F7F2PRSS1F10F3
SCHEMBL7146024 0.88 F7 (0.76) F7F2PRSS1F10F3

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0921116-B1 N-(4-carbamimido-phenyl)-glycine amide derivatives HOFFMANN LA ROCHE (CH) 2003-06-18 EP claimed
US-6140353-A USED AS MEDICAMENTS FOR THE TREATMENT AND/OR PREVENTION OF THROMBOSES, APOPLEXY, CARDIAC INFARCTION, INFLAMMATION AND ARTERIOSCLEROSIS OR AS ANTITUMOR AGENTS HOFFMANN-LA ROCHE INC. (US) 2000-10-31 US claimed
EP-0921116-A1 N-(4-carbamimido-phenyl)-glycine amide derivatives F. HOFFMANN-LA ROCHE AG (CH) 1999-06-09 EP claimed
EP-0921116-B1 N-(4-carbamimido-phenyl)-glycine amide derivatives HOFFMANN LA ROCHE (CH) 2003-06-18 EP disclosed
US-6140353-A USED AS MEDICAMENTS FOR THE TREATMENT AND/OR PREVENTION OF THROMBOSES, APOPLEXY, CARDIAC INFARCTION, INFLAMMATION AND ARTERIOSCLEROSIS OR AS ANTITUMOR AGENTS HOFFMANN-LA ROCHE INC. (US) 2000-10-31 US disclosed
EP-0921116-A1 N-(4-carbamimido-phenyl)-glycine amide derivatives F. HOFFMANN-LA ROCHE AG (CH) 1999-06-09 EP disclosed