SCHEMBL7147870

SCHEMBL7147870

COc1cc(C(Nc2ccc(C#N)cc2)C(=O)NCc2ccccc2)ccc1Oc1ccc(C(=O)O)cc1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F7 P08709 8/20 0.59
F2 P00734 7/20 0.59
PRSS1 P07477 6/20 0.59
F10 P00742 6/20 0.59
F3 P13726 3/20 0.46
PRSS2 P07478 1/20 0.46
PRSS3 P35030 1/20 0.46
HIF1A Q16665 1/20 0.44
CARM1 Q86X55 1/20 0.43
PRMT6 Q96LA8 1/20 0.43
TTR P02766 1/20 0.43
MAPK14 Q16539 1/20 0.43
KDM4E B2RXH2 1/20 0.42
SLC1A3 P43003 1/20 0.42
SLC1A2 P43004 1/20 0.42
NR1H4 Q96RI1 1/20 0.42
F11 P03951 1/20 0.41
SCN5A Q14524 1/20 0.40
SCN9A Q15858 1/20 0.40

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
SCHEMBL7147639 0.93 F7 (0.56) F7F2PRSS1F10F3
SCHEMBL7148091 0.87 F7 (0.55) F7F2PRSS1F10F3
SCHEMBL7144329 0.87 F7 (0.77) F7F2PRSS1F10F3
SCHEMBL7149166 0.87 F7 (0.63) F7F2PRSS1F10F3
SCHEMBL5883008 0.86 F2 (0.48) F7F2PRSS1F10F3
SCHEMBL7142570 0.85 F7 (0.73) F7F2PRSS1F10F3
SCHEMBL7142569 0.85 F7 (0.73) F7F2PRSS1F10F3
SCHEMBL7142565 0.85 F7 (0.73) F7F2PRSS1F10F3
SCHEMBL5882220 0.85 TTR (0.45) F7F2PRSS1F10F3
SCHEMBL7144763 0.85 F7 (0.63) 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 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