SCHEMBL7148414

SCHEMBL7148414

COc1cc([C@@H](Nc2ccc(C(=N)N)cc2)C(=O)N[C@H](C)c2ccccc2)ccc1OCc1ccccc1

nearest known ligand 0.84

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F7 P08709 16/20 0.84
F2 P00734 13/20 0.84
PRSS1 P07477 11/20 0.84
F10 P00742 10/20 0.84
F3 P13726 3/20 0.79
PRSS2 P07478 2/20 0.79
PRSS3 P35030 2/20 0.79
MRGPRX1 Q96LB2 2/20 0.56
TRPM8 Q7Z2W7 1/20 0.50
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL7171245 1.00 F7 (0.84) F7F2PRSS1F10F3
SCHEMBL7144106 1.00 F7 (0.84) F7F2PRSS1F10F3
SCHEMBL7142362 1.00 F7 (0.84) F7F2PRSS1F10F3
Acetic Acid SCHEMBL8120871 0.98 F7 (0.81) F7F2PRSS1F10F3
Acetic Acid SCHEMBL8127470 0.98 F7 (0.81) F7F2PRSS1F10F3
Acetic Acid SCHEMBL8121740 0.98 F7 (0.81) F7F2PRSS1F10F3
Acetic Acid SCHEMBL8119824 0.98 F7 (0.81) F7F2PRSS1F10F3
Hydrochloric Acid SCHEMBL8126240 0.91 F7 (0.84) F7F2PRSS1F10F3
SCHEMBL7144724 0.91 F7 (1.00) F7F2PRSS1F10F3
SCHEMBL7145326 0.91 F7 (1.00) 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