SCHEMBL7147282

SCHEMBL7147282

N=C(N)c1ccc(N[C@H](C(=O)NCc2ccccc2)c2cccc([N+](=O)[O-])c2)cc1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F2 P00734 10/20 0.61
PRSS1 P07477 10/20 0.61
F7 P08709 9/20 0.61
F10 P00742 8/20 0.61
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
F3 P13726 4/20 0.45
PRSS2 P07478 3/20 0.45
PRSS3 P35030 3/20 0.45
GAA P10253 1/20 0.45
ALDH1A1 P00352 1/20 0.44
TPSAB1 Q15661 1/20 0.44
GRM8 O00222 1/20 0.43
GRM4 Q14833 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
SCHEMBL7147278 1.00 F2 (0.61) F2PRSS1F7F10MEN1
Acetic Acid SCHEMBL8126253 0.97 F2 (0.61) F2PRSS1F7F10MEN1
SCHEMBL7142888 0.83 SMN1; SMN2 (0.46) F2PRSS1F7F10MEN1
SCHEMBL7142884 0.83 SMN1; SMN2 (0.46) F2PRSS1F7F10MEN1
SCHEMBL7144712 0.82 F7 (0.65) F2PRSS1F7F10MEN1
Hydrochloric Acid SCHEMBL8128727 0.82 F7 (0.65) F2PRSS1F7F10F3
Hydrochloric Acid SCHEMBL7145180 0.82 F7 (0.65) F2PRSS1F7F10F3
Hydrochloric Acid SCHEMBL8128732 0.82 F7 (0.65) F2PRSS1F7F10F3
SCHEMBL7144720 0.82 F7 (0.65) F2PRSS1F7F10MEN1
SCHEMBL7172290 0.81 PRSS1 (0.42) F2PRSS1F7F10HTT

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