SCHEMBL7144720

SCHEMBL7144720

CC(=O)Nc1cccc([C@H](Nc2ccc(C(=N)N)cc2)C(=O)NCc2ccccc2)c1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F7 P08709 13/20 0.65
F2 P00734 12/20 0.65
PRSS1 P07477 9/20 0.65
F10 P00742 8/20 0.65
F3 P13726 5/20 0.56
PRSS2 P07478 2/20 0.48
PRSS3 P35030 2/20 0.48
MAPT P10636 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
PTPN1 P18031 1/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
TPSAB1 Q15661 1/20 0.44
MASP2 O00187 1/20 0.44

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
SCHEMBL7144712 1.00 F7 (0.65) F7F2PRSS1F10F3
Acetic Acid SCHEMBL8114249 0.99 F7 (0.64) F7F2PRSS1F10F3
SCHEMBL7150568 0.89 F7 (0.53) F7F2PRSS1F10F3
SCHEMBL7150576 0.89 F7 (0.53) F7F2PRSS1F10F3
Acetic Acid SCHEMBL5882708 0.83 F7 (0.55) F7F2PRSS1F10F3
SCHEMBL7149677 0.83 F7 (0.54) F7F2PRSS1F10F3
SCHEMBL7149660 0.83 F7 (0.54) F7F2PRSS1F10F3
Acetic Acid SCHEMBL8126253 0.83 F2 (0.61) F7F2PRSS1F10F3
Hydrochloric Acid SCHEMBL8128732 0.82 F7 (0.65) F7F2PRSS1F10F3
Hydrochloric Acid SCHEMBL8128727 0.82 F7 (0.65) 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