SCHEMBL7148091

SCHEMBL7148091

COc1cc(C(Nc2ccc(C#N)cc2)C(=O)NCc2ccccc2)ccc1Oc1ccccc1C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F7 P08709 8/20 0.55
F2 P00734 7/20 0.55
F10 P00742 6/20 0.55
PRSS1 P07477 6/20 0.55
HIF1A Q16665 3/20 0.47
F3 P13726 3/20 0.43
PRSS2 P07478 1/20 0.43
PRSS3 P35030 1/20 0.43
SLC1A3 P43003 1/20 0.42
SLC1A2 P43004 1/20 0.42
HTT P42858 1/20 0.42
F11 P03951 1/20 0.41
TP53 P04637 1/20 0.41
GLA P06280 1/20 0.41
HPGD P15428 1/20 0.41
SCN5A Q14524 1/20 0.39
SCN9A Q15858 1/20 0.39
CCR2 P41597 1/20 0.39
TNF P01375 1/20 0.39
CTSV O60911 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 0.87 F7 (0.59) F7F2F10PRSS1HIF1A
SCHEMBL7147639 0.87 F7 (0.56) F7F2F10PRSS1HIF1A
SCHEMBL7142570 0.86 F7 (0.73) F7F2F10PRSS1HIF1A
SCHEMBL7142565 0.86 F7 (0.73) F7F2F10PRSS1HIF1A
SCHEMBL7142569 0.86 F7 (0.73) F7F2F10PRSS1HIF1A
SCHEMBL7146580 0.86 F7 (0.76) F7F2F10PRSS1HIF1A
SCHEMBL7147647 0.85 F7 (0.62) F7F2F10PRSS1HIF1A
SCHEMBL7147649 0.85 F7 (0.62) F7F2F10PRSS1HIF1A
SCHEMBL7147651 0.85 F7 (0.62) F7F2F10PRSS1HIF1A
Hydrochloric Acid SCHEMBL8120348 0.85 F7 (0.75) F7F2F10PRSS1HIF1A

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