SCHEMBL7609161

SCHEMBL7609161

CCCN(CCC)CCCc1cc(NC(=O)C=Cc2cc(Cl)cc(Cl)c2)ccc1OC

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.50
MAPT P10636 2/20 0.50
BCHE P06276 8/20 0.47
ACHE P22303 8/20 0.47
HTT P42858 3/20 0.44
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 2/20 0.44
POLB P06746 2/20 0.44
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 1/20 0.44
CA12 O43570 2/20 0.43
CA9 Q16790 2/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
TRPV1 Q8NER1 1/20 0.43
GAA P10253 1/20 0.43
SLC2A1 P11166 1/20 0.42
GCGR P47871 1/20 0.42

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
SCHEMBL7614322 0.93 MAPT (0.53) TP53MAPTBCHEACHEALDH1A1
SCHEMBL7610127 0.92 IMPDH2 (0.51) TP53MAPTBCHEACHEHTT
SCHEMBL7609170 0.89 TP53 (0.64) TP53MAPTBCHEACHEHTT
SCHEMBL7607926 0.89 BCHE (0.47) TP53MAPTBCHEACHEHTT
SCHEMBL7609152 0.88 SLC2A1 (0.53) TP53MAPTBCHEACHEHTT
SCHEMBL7609148 0.88 SLC2A1 (0.53) TP53MAPTBCHEACHEHTT
SCHEMBL7612338 0.87 BCHE (0.50) TP53MAPTBCHEACHEALDH1A1
SCHEMBL7621024 0.87 IMPDH2 (0.50) TP53MAPTBCHEACHEHTT
SCHEMBL7611228 0.87 MAPT (0.51) TP53MAPTBCHEACHEMEN1
SCHEMBL7615771 0.87 BCHE (0.49) TP53MAPTBCHEACHETRPV1

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