SCHEMBL7608558

SCHEMBL7608558

COc1ccc(NC(=O)C=Cc2ccc(F)cc2Cl)cc1CCCN(C(C)C)C(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.45
MAPT P10636 9/20 0.42
TP53 P04637 2/20 0.42
MEN1 O00255 6/20 0.41
KMT2A Q03164 6/20 0.41
LMNA P02545 5/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 5/20 0.41
HTT P42858 1/20 0.41
GCGR P47871 1/20 0.40
GLA P06280 1/20 0.39
HPGD P15428 1/20 0.39
IMPDH2 P12268 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
TDP1 Q9NUW8 1/20 0.39
NPC1 O15118 2/20 0.38
NFKB1 P19838 2/20 0.38
RAB9A P51151 2/20 0.38
NFKB2 Q00653 2/20 0.38
RELA Q04206 2/20 0.38

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
SCHEMBL7608554 1.00 SLC2A1 (0.45) SLC2A1MAPTTP53MEN1KMT2A
SCHEMBL7613216 0.94 SLC2A1 (0.51) SLC2A1MAPTTP53ALDH1A1GCGR
SCHEMBL7613221 0.94 SLC2A1 (0.51) SLC2A1MAPTTP53ALDH1A1GCGR
SCHEMBL7615356 0.91 ALDH1A1 (0.48) SLC2A1MAPTTP53MEN1KMT2A
SCHEMBL7615349 0.91 ALDH1A1 (0.48) SLC2A1MAPTTP53MEN1KMT2A
SCHEMBL7613258 0.91 SLC2A1 (0.46) SLC2A1MAPTTP53MEN1KMT2A
SCHEMBL7613257 0.91 SLC2A1 (0.46) SLC2A1MAPTTP53MEN1KMT2A
SCHEMBL7615418 0.90 SLC2A1 (0.47) SLC2A1MAPTTP53MEN1KMT2A
SCHEMBL7615413 0.90 SLC2A1 (0.47) SLC2A1MAPTTP53MEN1KMT2A
SCHEMBL7612359 0.89 MAPT (0.52) SLC2A1MAPTTP53MEN1KMT2A

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