SCHEMBL7606652

SCHEMBL7606652

CCCN(CCC)CCCc1cc(NC(=O)C=Cc2c(F)cccc2F)ccc1OC

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BCHE P06276 11/20 0.48
ABCG2 Q9UNQ0 1/20 0.45
ACHE P22303 8/20 0.44
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KRAS P01116 1/20 0.41
TP53 P04637 1/20 0.40
NAMPT P43490 1/20 0.40
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL7605982 0.94 BCHE (0.58) BCHEABCG2ACHEMAPTMEN1
SCHEMBL7616836 0.89 MAPT (0.50) BCHEACHEMAPTMEN1LMNA
SCHEMBL7614275 0.87 SMN1; SMN2 (0.52) BCHEACHEMAPTLMNAKMT2A
SCHEMBL7606649 0.87 SLC2A1 (0.49) BCHEABCG2ACHEMAPTMEN1
SCHEMBL7606643 0.87 SLC2A1 (0.49) BCHEABCG2ACHEMAPTMEN1
SCHEMBL7612338 0.86 BCHE (0.50) BCHEACHEMAPTMEN1LMNA
SCHEMBL7615420 0.86 MAPT (0.45) BCHEACHEMAPTMEN1LMNA
SCHEMBL7607926 0.86 BCHE (0.47) BCHEACHEMAPTMEN1LMNA
SCHEMBL7613260 0.85 MAPT (0.44) BCHEACHEMAPTMEN1LMNA
SCHEMBL7606789 0.84 BCHE (0.52) BCHEABCG2ACHE

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