SCHEMBL7609622

SCHEMBL7609622

COc1ccc(NC(=O)/C=C/c2cccc(Cl)c2)cc1OCCCN(C(C)C)C(C)C

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.61
BCHE P06276 14/20 0.53
ACHE P22303 13/20 0.53
IMPDH2 P12268 1/20 0.53
MAPT P10636 2/20 0.50
TP53 P04637 1/20 0.50
MMP1 P03956 1/20 0.48
MMP2 P08253 1/20 0.48
MMP9 P14780 1/20 0.48
MAOB P27338 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
CYP1A2 P05177 1/20 0.48
HPGD P15428 1/20 0.48
CYP2C19 P33261 1/20 0.48

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
SCHEMBL7609626 1.00 SLC2A1 (0.61) SLC2A1BCHEACHEIMPDH2MAPT
SCHEMBL7614821 0.95 SLC2A1 (0.67) SLC2A1BCHEACHEIMPDH2MAPT
SCHEMBL7619501 0.95 SLC2A1 (0.67) SLC2A1BCHEACHEIMPDH2MAPT
SCHEMBL7620249 0.90 SLC2A1 (0.66) SLC2A1BCHEACHEIMPDH2MAPT
SCHEMBL7620250 0.90 SLC2A1 (0.66) SLC2A1BCHEACHEIMPDH2MAPT
SCHEMBL7610122 0.88 SLC2A1 (0.52) SLC2A1BCHEACHEIMPDH2MAPT
SCHEMBL7610119 0.88 SLC2A1 (0.52) SLC2A1BCHEACHEIMPDH2MAPT
SCHEMBL7609628 0.88 BCHE (0.58) SLC2A1BCHEACHEIMPDH2MAPT
SCHEMBL7643936 0.87 SLC2A1 (0.58) SLC2A1BCHEACHEMAPTMAOB
SCHEMBL7623034 0.87 SLC2A1 (0.58) SLC2A1BCHEACHEMAPTMAOB

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