SCHEMBL7142896

SCHEMBL7142896

COc1cc(C(Nc2ccc(C(=N)N)cc2)C(=O)NCc2ccccc2)c(NS(=O)(=O)c2ccccc2)cc1OCc1ccccc1

nearest known ligand 0.78

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F2 P00734 19/20 0.78
PRSS1 P07477 13/20 0.78
F7 P08709 12/20 0.78
F10 P00742 10/20 0.67
PRSS2 P07478 4/20 0.56
PRSS3 P35030 4/20 0.56
F3 P13726 3/20 0.56
MRGPRX1 Q96LB2 1/20 0.48
TMPRSS6 Q8IU80 6/20 0.43

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
Acetic Acid SCHEMBL8127149 0.98 F2 (0.76) F2PRSS1F7F10PRSS2
SCHEMBL7142453 0.92 F7 (0.66) F2PRSS1F7F10PRSS2
SCHEMBL8124400 0.91 F2 (0.65) F2PRSS1F7F10PRSS2
SCHEMBL7143067 0.90 F2 (0.65) F2PRSS1F7F10PRSS2
SCHEMBL7143764 0.89 F7 (0.79) F2PRSS1F7F10PRSS2
SCHEMBL7146072 0.89 F7 (0.79) F2PRSS1F7F10PRSS2
SCHEMBL8113415 0.89 F7 (0.79) F2PRSS1F7F10PRSS2
SCHEMBL8121774 0.89 F7 (0.79) F2PRSS1F7F10PRSS2
Acetic Acid SCHEMBL8124396 0.89 F2 (0.63) F2PRSS1F7F10PRSS2
Trifluoroacetic Acid SCHEMBL7148076 0.88 F2 (0.70) F2PRSS1F7F10PRSS2

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