SCHEMBL7149677

SCHEMBL7149677

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F7 P08709 6/20 0.54
F3 P13726 3/20 0.54
SLC1A3 P43003 1/20 0.46
SLC1A2 P43004 1/20 0.46
MAPT P10636 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
PTPN1 P18031 1/20 0.46
F2 P00734 4/20 0.45
F10 P00742 4/20 0.45
PRSS1 P07477 3/20 0.45
HPGD P15428 1/20 0.44
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.42
F11 P03951 1/20 0.42
AKR1C3 P42330 1/20 0.42
AKR1C1 Q04828 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
SCHEMBL7149660 1.00 F7 (0.54) F7F3SLC1A3SLC1A2MAPT
SCHEMBL7144037 0.85 F7 (0.51) F7F3SLC1A3SLC1A2F2
SCHEMBL7144030 0.85 F7 (0.51) F7F3SLC1A3SLC1A2F2
SCHEMBL5883059 0.84 ALDH1A1 (0.48) MAPTL3MBTL1MEN1KMT2ATDP1
SCHEMBL7144720 0.83 F7 (0.65) F7F3MAPTL3MBTL1MEN1
SCHEMBL7144712 0.83 F7 (0.65) F7F3MAPTL3MBTL1MEN1
SCHEMBL7150576 0.82 F7 (0.53) F7F3MAPTL3MBTL1MEN1
Acetic Acid SCHEMBL8114249 0.82 F7 (0.64) F7F3MAPTL3MBTL1MEN1
SCHEMBL7150568 0.82 F7 (0.53) F7F3MAPTL3MBTL1MEN1
SCHEMBL7142884 0.81 SMN1; SMN2 (0.46) F7F3SLC1A3SLC1A2MAPT

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