SCHEMBL7620249

SCHEMBL7620249

COc1ccc(NC(=O)/C=C/c2ccc(Cl)cc2)cc1OCCCN(C(C)C)C(C)C

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.66
BCHE P06276 8/20 0.53
ACHE P22303 7/20 0.53
TP53 P04637 3/20 0.53
MAPT P10636 3/20 0.53
TRPV1 Q8NER1 2/20 0.53
CYP3A4 P08684 2/20 0.52
TSHR P16473 2/20 0.52
MAPK1 P28482 2/20 0.52
CYP2C19 P33261 2/20 0.52
MEN1 O00255 2/20 0.52
ALDH1A1 P00352 2/20 0.52
KMT2A Q03164 2/20 0.52
CYP2D6 P10635 1/20 0.52
PKM P14618 1/20 0.52
NFKB1 P19838 1/20 0.52
THPO P40225 1/20 0.52
NPC1 O15118 1/20 0.52
GMNN O75496 1/20 0.52
LMNA P02545 1/20 0.52

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
SCHEMBL7620250 1.00 SLC2A1 (0.66) SLC2A1BCHEACHETP53MAPT
SCHEMBL7615423 0.95 SLC2A1 (0.73) SLC2A1BCHEACHETP53MAPT
SCHEMBL7615429 0.95 SLC2A1 (0.73) SLC2A1BCHEACHETP53MAPT
SCHEMBL7612941 0.93 SLC2A1 (0.66) SLC2A1BCHEACHETP53MAPT
SCHEMBL7612936 0.93 SLC2A1 (0.66) SLC2A1BCHEACHETP53MAPT
SCHEMBL7609626 0.90 SLC2A1 (0.61) SLC2A1BCHEACHETP53MAPT
SCHEMBL7609622 0.90 SLC2A1 (0.61) SLC2A1BCHEACHETP53MAPT
SCHEMBL7642917 0.89 SLC2A1 (0.83) SLC2A1BCHEACHEMEN1KMT2A
SCHEMBL7616804 0.89 SLC2A1 (0.62) SLC2A1BCHEACHETP53MAPT
SCHEMBL7616800 0.89 SLC2A1 (0.62) SLC2A1BCHEACHETP53MAPT

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