SCHEMBL7142032

SCHEMBL7142032

COc1ccc(CC(=O)Nc2ccccc2C(Nc2ccc(C(=N)N)cc2)C(=O)NCc2ccccc2)cc1OC

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F2 P00734 9/20 0.62
PRSS1 P07477 9/20 0.62
F7 P08709 9/20 0.62
F10 P00742 8/20 0.62
PRSS2 P07478 1/20 0.51
F3 P13726 1/20 0.51
PRSS3 P35030 1/20 0.51
CTSD P07339 7/20 0.50
POLB P06746 1/20 0.48
MRGPRX1 Q96LB2 1/20 0.47
BCHE P06276 2/20 0.47
ACHE P22303 2/20 0.47

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 SCHEMBL8127584 0.98 F2 (0.61) F2PRSS1F7F10PRSS2
SCHEMBL7140881 0.95 F2 (0.71) F2PRSS1F7F10PRSS2
Acetic Acid SCHEMBL8127351 0.94 F2 (0.69) F2PRSS1F7F10PRSS2
SCHEMBL7142312 0.92 F2 (0.53) F2PRSS1F7F10CTSD
SCHEMBL7142026 0.89 F7 (0.63) F2PRSS1F7F10PRSS2
Acetic Acid SCHEMBL8127578 0.88 F7 (0.61) F2PRSS1F7F10PRSS2
SCHEMBL8113182 0.87 F2 (0.59) F2PRSS1F7F10PRSS2
SCHEMBL5882979 0.86 F2 (0.69) F2PRSS1F7F10PRSS2
SCHEMBL7140873 0.85 F2 (0.71) F2PRSS1F7F10PRSS2
SCHEMBL7169846 0.84 F2 (0.73) 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 3 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 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