SCHEMBL7147639

SCHEMBL7147639

COc1cc(C(Nc2ccc(C#N)cc2)C(=O)NCc2ccccc2)ccc1Oc1cccc(C(=O)O)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F7 P08709 8/20 0.56
F2 P00734 7/20 0.56
F10 P00742 6/20 0.56
PRSS1 P07477 6/20 0.56
F3 P13726 3/20 0.44
HIF1A Q16665 2/20 0.44
PRSS2 P07478 1/20 0.44
PRSS3 P35030 1/20 0.44
TTR P02766 1/20 0.42
SLC1A3 P43003 1/20 0.41
SLC1A2 P43004 1/20 0.41
F11 P03951 1/20 0.40
SCN5A Q14524 1/20 0.40
SCN9A Q15858 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.40
AR P10275 1/20 0.40
RAB9A P51151 1/20 0.39
PPARG P37231 1/20 0.39
PPARD Q03181 1/20 0.39
PPARA Q07869 1/20 0.39

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
SCHEMBL7147870 0.93 F7 (0.59) F7F2F10PRSS1F3
SCHEMBL7143824 0.88 F7 (0.73) F7F2F10PRSS1F3
SCHEMBL7144763 0.87 F7 (0.63) F7F2F10PRSS1F3
SCHEMBL7144761 0.87 F7 (0.63) F7F2F10PRSS1F3
SCHEMBL7144765 0.87 F7 (0.63) F7F2F10PRSS1F3
SCHEMBL7148352 0.87 F7 (0.61) F7F2F10PRSS1F3
SCHEMBL7148091 0.87 F7 (0.55) F7F2F10PRSS1F3
SCHEMBL7142895 0.85 F7 (0.65) F7F2F10PRSS1F3
SCHEMBL7142900 0.85 F7 (0.65) F7F2F10PRSS1F3
SCHEMBL7142897 0.85 F7 (0.65) F7F2F10PRSS1F3

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