SCHEMBL7609628

SCHEMBL7609628

CCCN(CCC)CCCOc1cc(NC(=O)C=Cc2cccc(Cl)c2)ccc1OC

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BCHE P06276 14/20 0.58
ACHE P22303 13/20 0.58
IMPDH2 P12268 1/20 0.53
TP53 P04637 1/20 0.52
MAPT P10636 1/20 0.52
MMP1 P03956 1/20 0.48
MMP2 P08253 1/20 0.48
MMP9 P14780 1/20 0.48
MAOB P27338 1/20 0.48
SLC2A1 P11166 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
SCHEMBL7619509 0.95 BCHE (0.58) BCHEACHEIMPDH2TP53MAPT
SCHEMBL7620255 0.90 BCHE (0.58) BCHEACHEIMPDH2TP53MAPT
SCHEMBL7609626 0.88 SLC2A1 (0.61) BCHEACHEIMPDH2TP53MAPT
SCHEMBL7609622 0.88 SLC2A1 (0.61) BCHEACHEIMPDH2TP53MAPT
SCHEMBL7610127 0.88 IMPDH2 (0.51) BCHEACHEIMPDH2TP53MAPT
SCHEMBL7616812 0.86 BCHE (0.59) BCHEACHETP53MAPTSLC2A1
SCHEMBL7612442 0.86 BCHE (0.63) BCHEACHETP53MAPTSLC2A1
SCHEMBL7613897 0.85 BCHE (0.60) BCHEACHETP53MAPTSLC2A1
SCHEMBL7615432 0.85 BCHE (0.58) BCHEACHEIMPDH2TP53MAPT
SCHEMBL7613677 0.85 BCHE (0.65) BCHEACHESLC2A1

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