SCHEMBL7145663

SCHEMBL7145663

COc1cc(OCc2cccc(C(=O)O)c2)c(C(Nc2ccc(C#N)cc2)C(=O)NCc2ccccc2)cc1OC

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F2 P00734 7/20 0.52
PRSS1 P07477 7/20 0.52
F7 P08709 7/20 0.52
F10 P00742 6/20 0.52
MRGPRX4 Q96LA9 12/20 0.50
KDM4E B2RXH2 1/20 0.43
TP53 P04637 1/20 0.42
PKM P14618 1/20 0.42
NFKB1 P19838 1/20 0.42
RAB9A P51151 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
PRSS2 P07478 1/20 0.42
F3 P13726 1/20 0.42
PRSS3 P35030 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
SCHEMBL7142597 0.93 F2 (0.57) F2PRSS1F7F10KDM4E
SCHEMBL7146126 0.92 F2 (0.57) F2PRSS1F7F10KDM4E
SCHEMBL7146130 0.92 F2 (0.57) F2PRSS1F7F10KDM4E
SCHEMBL5883284 0.89 F2 (0.54) F2PRSS1F7F10KDM4E
SCHEMBL5882835 0.89 MRGPRX4 (0.54) F2PRSS1F7F10MRGPRX4
SCHEMBL7143415 0.87 F2 (0.70) F2PRSS1F7F10MRGPRX4
SCHEMBL7140382 0.86 F2 (0.49) F2PRSS1F7F10SMN1; SMN2
SCHEMBL7143676 0.86 F2 (0.57) F2PRSS1F7F10MRGPRX4
Acetic Acid SCHEMBL8128031 0.85 F2 (0.68) F2PRSS1F7F10MRGPRX4
SCHEMBL8115021 0.85 F7 (0.48) F2PRSS1F7F10RAB9A

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