SCHEMBL7144329

SCHEMBL7144329

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

nearest known ligand 0.77

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F7 P08709 13/20 0.77
F2 P00734 12/20 0.77
PRSS1 P07477 11/20 0.77
F10 P00742 11/20 0.77
F3 P13726 5/20 0.62
PRSS2 P07478 2/20 0.62
PRSS3 P35030 2/20 0.62
CARM1 Q86X55 1/20 0.48
PRMT6 Q96LA8 1/20 0.48
NR1H4 Q96RI1 1/20 0.45
MRGPRX1 Q96LB2 1/20 0.44
TTR P02766 1/20 0.43
F11 P03951 1/20 0.43

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
SCHEMBL7143824 0.93 F7 (0.73) F7F2PRSS1F10F3
Hydrochloric Acid SCHEMBL8121789 0.91 F7 (0.88) F7F2PRSS1F10F3
Hydrochloric Acid SCHEMBL8128699 0.91 F7 (0.88) F7F2PRSS1F10F3
Hydrochloric Acid SCHEMBL7149307 0.91 F7 (0.88) F7F2PRSS1F10F3
SCHEMBL7149166 0.91 F7 (0.63) F7F2PRSS1F10F3
SCHEMBL7146580 0.89 F7 (0.76) F7F2PRSS1F10F3
Hydrochloric Acid SCHEMBL8120348 0.88 F7 (0.75) F7F2PRSS1F10F3
Hydrochloric Acid SCHEMBL8120342 0.88 F7 (0.75) F7F2PRSS1F10F3
SCHEMBL7147870 0.87 F7 (0.59) F7F2PRSS1F10F3
SCHEMBL7146083 0.86 F7 (0.85) 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