SCHEMBL7143391

SCHEMBL7143391

COc1ccc(OCC(=O)O)c(C(Nc2ccc(C(=N)N)cc2)C(=O)NCc2ccccc2)c1

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F2 P00734 16/20 0.63
F7 P08709 14/20 0.63
PRSS1 P07477 12/20 0.63
F10 P00742 12/20 0.63
F3 P13726 5/20 0.51
PRSS2 P07478 3/20 0.51
PRSS3 P35030 3/20 0.51
MRGPRX1 Q96LB2 2/20 0.45
MASP2 O00187 1/20 0.42
L3MBTL1 Q9Y468 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
SCHEMBL7148118 0.91 F2 (0.51) F2F7PRSS1F10F3
SCHEMBL7142640 0.90 F2 (0.67) F2F7PRSS1F10F3
Acetic Acid SCHEMBL8122386 0.88 F2 (0.65) F2F7PRSS1F10F3
SCHEMBL5882349 0.86 F10 (0.57) F2F7PRSS1F10F3
Hydrochloric Acid SCHEMBL7144853 0.86 F2 (0.64) F2F7PRSS1F10F3
SCHEMBL7150831 0.85 AKR1B1 (0.46) F2F7PRSS1F10L3MBTL1
Hydrochloric Acid SCHEMBL8122558 0.84 F2 (0.62) F2F7PRSS1F10F3
Hydrochloric Acid SCHEMBL7145769 0.84 F2 (0.62) F2F7PRSS1F10F3
Hydrochloric Acid SCHEMBL8122550 0.84 F2 (0.62) F2F7PRSS1F10F3
SCHEMBL7149276 0.83 F2 (0.56) F2F7PRSS1F10F3

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