SCHEMBL7140792

SCHEMBL7140792

COc1cc([C@H](Nc2ccc(C(=N)N)cc2)C(=O)NCc2ccccc2)c(NC(C)=O)cc1OCc1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F7 P08709 13/20 0.73
F2 P00734 12/20 0.73
PRSS1 P07477 11/20 0.73
F10 P00742 10/20 0.71
PRSS2 P07478 2/20 0.59
F3 P13726 2/20 0.59
PRSS3 P35030 2/20 0.59
MRGPRX1 Q96LB2 2/20 0.51
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
BRD4 O60885 3/20 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
SCHEMBL7140785 1.00 F7 (0.73) F7F2PRSS1F10PRSS2
Acetic Acid SCHEMBL8114466 0.99 F7 (0.72) F7F2PRSS1F10PRSS2
Acetic Acid SCHEMBL8124067 0.94 F2 (0.72) F7F2PRSS1F10PRSS2
Acetic Acid SCHEMBL8122723 0.93 F2 (0.70) F7F2PRSS1F10PRSS2
SCHEMBL8124071 0.92 F2 (0.69) F7F2PRSS1F10PRSS2
Acetic Acid SCHEMBL8127343 0.92 F7 (0.69) F7F2PRSS1F10PRSS2
SCHEMBL7146603 0.92 F7 (0.71) F7F2PRSS1F10PRSS2
SCHEMBL7140873 0.92 F2 (0.71) F7F2PRSS1F10PRSS2
SCHEMBL7143724 0.92 F7 (0.71) F7F2PRSS1F10PRSS2
SCHEMBL7150813 0.91 F2 (0.70) F7F2PRSS1F10PRSS2

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