SCHEMBL7146580

SCHEMBL7146580

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

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F7 P08709 14/20 0.76
F2 P00734 11/20 0.76
PRSS1 P07477 10/20 0.76
F10 P00742 10/20 0.76
F3 P13726 5/20 0.61
PRSS2 P07478 2/20 0.61
PRSS3 P35030 2/20 0.61
MRGPRX1 Q96LB2 1/20 0.44
HTT P42858 1/20 0.43
HIF1A Q16665 1/20 0.43
F11 P03951 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
KLK1 P06870 1/20 0.41
KLK5 Q9Y337 1/20 0.41
CARM1 Q86X55 1/20 0.41
PRMT6 Q96LA8 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
Hydrochloric Acid SCHEMBL8120342 0.99 F7 (0.75) F7F2PRSS1F10F3
Hydrochloric Acid SCHEMBL8120348 0.99 F7 (0.75) F7F2PRSS1F10F3
SCHEMBL7146394 0.91 F7 (0.62) F7F2PRSS1F10F3
Hydrochloric Acid SCHEMBL8121789 0.90 F7 (0.88) F7F2PRSS1F10F3
Hydrochloric Acid SCHEMBL8128699 0.90 F7 (0.88) F7F2PRSS1F10F3
Hydrochloric Acid SCHEMBL7149307 0.90 F7 (0.88) F7F2PRSS1F10F3
SCHEMBL7144329 0.89 F7 (0.77) F7F2PRSS1F10F3
SCHEMBL7143824 0.87 F7 (0.73) F7F2PRSS1F10F3
SCHEMBL7148091 0.86 F7 (0.55) F7F2PRSS1F10F3
Hydrochloric Acid SCHEMBL7144104 0.85 F7 (0.98) 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