SCHEMBL7606643

SCHEMBL7606643

COc1ccc(NC(=O)/C=C/c2c(F)cccc2F)cc1CCCN(C(C)C)C(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.49
BCHE P06276 5/20 0.48
ABCG2 Q9UNQ0 1/20 0.45
NAMPT P43490 1/20 0.41
KRAS P01116 1/20 0.41
MCHR1 Q99705 5/20 0.40
ACHE P22303 3/20 0.40
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HTR2C P28335 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
IMPDH2 P12268 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TP53 P04637 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
SCHEMBL7606649 1.00 SLC2A1 (0.49) SLC2A1BCHEABCG2NAMPTKRAS
SCHEMBL7605978 0.94 BCHE (0.58) SLC2A1BCHEABCG2MAPTMEN1
SCHEMBL7605980 0.94 BCHE (0.58) SLC2A1BCHEABCG2MAPTMEN1
SCHEMBL7616830 0.89 MAPT (0.50) SLC2A1BCHENAMPTMCHR1ACHE
SCHEMBL7616826 0.89 MAPT (0.50) SLC2A1BCHENAMPTMCHR1ACHE
SCHEMBL7614269 0.87 SLC2A1 (0.52) SLC2A1BCHEACHEMAPTLMNA
SCHEMBL7614271 0.87 SLC2A1 (0.52) SLC2A1BCHEACHEMAPTLMNA
SCHEMBL7606652 0.87 BCHE (0.48) BCHEABCG2NAMPTKRASACHE
SCHEMBL7607919 0.87 SLC2A1 (0.53) SLC2A1BCHEACHEMAPTMEN1
SCHEMBL7607923 0.87 SLC2A1 (0.53) SLC2A1BCHEACHEMAPTMEN1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1100495-A4 PROPENAMIDES AS CCR5 MODULATORS SMITHKLINE BEECHAM CORP (US) 2002-09-25 EP claimed
JP-2002521441-A 2002-07-16 JP claimed
EP-1100495-A1 PROPENAMIDES AS CCR5 MODULATORS SMITHKLINE BEECHAM CORPORATION (US) 2001-05-23 EP claimed
WO-2000006153-A1 PROPENAMIDES AS CCR5 MODULATORS SMITHKLINE BEECHAM CORPORATION (US) 2000-02-10 WO claimed
EP-1100495-A4 PROPENAMIDES AS CCR5 MODULATORS SMITHKLINE BEECHAM CORP (US) 2002-09-25 EP disclosed
EP-1100495-A1 PROPENAMIDES AS CCR5 MODULATORS SMITHKLINE BEECHAM CORPORATION (US) 2001-05-23 EP disclosed
WO-2000006153-A1 PROPENAMIDES AS CCR5 MODULATORS SMITHKLINE BEECHAM CORPORATION (US) 2000-02-10 WO disclosed