SCHEMBL7149324

SCHEMBL7149324

COc1cc([C@@H](Nc2ccc(C(=N)N)cc2)C(=O)N[C@H](C(=O)O)c2ccccc2)c(NC(=O)Cc2ccccc2)cc1OCc1ccccc1

nearest known ligand 0.78

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F7 P08709 17/20 0.78
F2 P00734 13/20 0.78
PRSS1 P07477 12/20 0.78
F10 P00742 12/20 0.78
F3 P13726 5/20 0.62
PRSS2 P07478 3/20 0.62
PRSS3 P35030 3/20 0.62
MRGPRX1 Q96LB2 1/20 0.46
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL7148242 1.00 F7 (0.78) F7F2PRSS1F10F3
Acetic Acid SCHEMBL8122925 0.98 F7 (0.76) F7F2PRSS1F10F3
Acetic Acid SCHEMBL8128145 0.98 F7 (0.76) F7F2PRSS1F10F3
SCHEMBL8126867 0.92 F7 (0.76) F7F2PRSS1F10F3
SCHEMBL7146024 0.92 F7 (0.76) F7F2PRSS1F10F3
SCHEMBL5882973 0.92 F7 (0.67) F7F2PRSS1F10F3
Acetic Acid SCHEMBL8113630 0.92 F7 (0.75) F7F2PRSS1F10F3
Acetic Acid SCHEMBL8120262 0.92 F7 (0.75) F7F2PRSS1F10F3
SCHEMBL7169846 0.89 F2 (0.73) F7F2PRSS1F10F3
SCHEMBL7148250 0.89 F2 (0.73) 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 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 claimed
EP-0921116-A1 N-(4-carbamimido-phenyl)-glycine amide derivatives F. HOFFMANN-LA ROCHE AG (CH) 1999-06-09 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 disclosed