SCHEMBL7147085

SCHEMBL7147085

C=CCOc1ccc(C(Nc2ccc(C#N)cc2)C(=O)NCc2ccccc2)cc1OC

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F7 P08709 10/20 0.60
F2 P00734 8/20 0.60
F10 P00742 7/20 0.60
PRSS1 P07477 7/20 0.60
F3 P13726 5/20 0.47
PRSS2 P07478 2/20 0.47
PRSS3 P35030 2/20 0.47
HIF1A Q16665 2/20 0.45
F11 P03951 1/20 0.43
SLC1A3 P43003 1/20 0.42
SLC1A2 P43004 1/20 0.42
SCN5A Q14524 1/20 0.39
SCN9A Q15858 1/20 0.39
KDM4E B2RXH2 1/20 0.39
TNF P01375 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 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
SCHEMBL8113314 1.00 F7 (0.60) F7F2F10PRSS1F3
SCHEMBL7147095 1.00 F7 (0.60) F7F2F10PRSS1F3
SCHEMBL7147087 1.00 F7 (0.60) F7F2F10PRSS1F3
SCHEMBL7142565 0.90 F7 (0.73) F7F2F10PRSS1F3
SCHEMBL7142570 0.90 F7 (0.73) F7F2F10PRSS1F3
SCHEMBL7142569 0.90 F7 (0.73) F7F2F10PRSS1F3
SCHEMBL7147651 0.89 F7 (0.62) F7F2F10PRSS1F3
SCHEMBL7147647 0.89 F7 (0.62) F7F2F10PRSS1F3
SCHEMBL7147649 0.89 F7 (0.62) F7F2F10PRSS1F3
SCHEMBL7142658 0.87 F7 (0.56) 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