SCHEMBL7146394

SCHEMBL7146394

COc1cc(C(Nc2ccc(C(=N)NO)cc2)C(=O)NCc2ccccc2)ccc1Oc1ccccc1C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F7 P08709 10/20 0.62
F2 P00734 9/20 0.62
PRSS1 P07477 8/20 0.62
F10 P00742 8/20 0.62
F3 P13726 4/20 0.49
PRSS2 P07478 2/20 0.49
PRSS3 P35030 2/20 0.49
HIF1A Q16665 1/20 0.41
F11 P03951 1/20 0.40
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TP53 P04637 1/20 0.39
GLA P06280 1/20 0.39
HPGD P15428 1/20 0.39
LMNA P02545 2/20 0.38
ALDH1A1 P00352 1/20 0.38
TNF P01375 1/20 0.38
CTSV O60911 1/20 0.38
CTSL P07711 1/20 0.38
MTTP P55157 1/20 0.38

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
SCHEMBL7146580 0.91 F7 (0.76) F7F2PRSS1F10F3
Hydrochloric Acid SCHEMBL8120348 0.90 F7 (0.75) F7F2PRSS1F10F3
Hydrochloric Acid SCHEMBL8120342 0.90 F7 (0.75) F7F2PRSS1F10F3
SCHEMBL7149166 0.89 F7 (0.63) F7F2PRSS1F10F3
SCHEMBL7148352 0.87 F7 (0.61) F7F2PRSS1F10F3
SCHEMBL7150811 0.86 F2 (0.82) F7F2PRSS1F10F3
SCHEMBL7150807 0.86 F2 (0.82) F7F2PRSS1F10F3
SCHEMBL7150803 0.86 F2 (0.82) F7F2PRSS1F10F3
SCHEMBL7148091 0.85 F7 (0.55) F7F2PRSS1F10F3
SCHEMBL8119907 0.85 F7 (0.57) 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