SCHEMBL7144037

SCHEMBL7144037

N#Cc1ccc(N[C@H](C(=O)NCc2ccccc2)c2cccc(N)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F7 P08709 8/20 0.51
F3 P13726 5/20 0.51
F2 P00734 6/20 0.47
F10 P00742 6/20 0.47
PRSS1 P07477 4/20 0.47
SLC1A3 P43003 1/20 0.46
SLC1A2 P43004 1/20 0.46
SCN5A Q14524 2/20 0.42
SCN9A Q15858 2/20 0.42
ROCK2 O75116 1/20 0.41
F11 P03951 2/20 0.41
NAMPT P43490 1/20 0.40
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
TSHR P16473 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GLA P06280 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL7144030 1.00 F7 (0.51) F7F3F2F10PRSS1
SCHEMBL7149677 0.85 F7 (0.54) F7F3F2F10PRSS1
SCHEMBL7149660 0.85 F7 (0.54) F7F3F2F10PRSS1
SCHEMBL7142884 0.84 SMN1; SMN2 (0.46) F7F3F2F10PRSS1
SCHEMBL7142888 0.84 SMN1; SMN2 (0.46) F7F3F2F10PRSS1
SCHEMBL5882891 0.83 CPN1 (0.43) F7F3F2F10PRSS1
SCHEMBL7152030 0.80 F7 (0.49) F7F3F2F10PRSS1
SCHEMBL7152027 0.80 F7 (0.49) F7F3F2F10PRSS1
SCHEMBL7152023 0.80 F7 (0.49) F7F3F2F10PRSS1
SCHEMBL7142671 0.79 F7 (0.56) F7F3F2F10PRSS1

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