SCHEMBL7143451

SCHEMBL7143451

COc1cc(C(Nc2ccc(C(=N)N)cc2)C(=O)NCc2ccccc2)cc(C(=O)O)c1OC

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F7 P08709 17/20 0.70
F2 P00734 14/20 0.70
PRSS1 P07477 13/20 0.70
F10 P00742 13/20 0.70
F3 P13726 7/20 0.55
PRSS2 P07478 3/20 0.55
PRSS3 P35030 3/20 0.55
ADRA1B P35368 1/20 0.43
MRGPRX1 Q96LB2 1/20 0.42
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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 SCHEMBL8122029 0.93 F7 (0.74) F7F2PRSS1F10F3
Hydrochloric Acid SCHEMBL7144590 0.93 F7 (0.74) F7F2PRSS1F10F3
Hydrochloric Acid SCHEMBL8122042 0.93 F7 (0.74) F7F2PRSS1F10F3
SCHEMBL8119907 0.90 F7 (0.57) F7F2PRSS1F10F3
Hydrochloric Acid SCHEMBL7149415 0.87 F2 (0.74) F7F2PRSS1F10F3
Hydrochloric Acid SCHEMBL7140831 0.87 F7 (0.74) F7F2PRSS1F10F3
Hydrochloric Acid SCHEMBL8113613 0.87 F7 (0.74) F7F2PRSS1F10F3
Hydrochloric Acid SCHEMBL8113599 0.87 F7 (0.74) F7F2PRSS1F10F3
Hydrochloric Acid SCHEMBL8121887 0.87 F2 (0.74) F7F2PRSS1F10F3
Hydrochloric Acid SCHEMBL8121878 0.87 F2 (0.74) 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