SCHEMBL7609165

SCHEMBL7609165

COc1ccc(NC(=O)/C=C/c2ccc(Cl)c(Cl)c2)cc1CCCN(C(C)C)C(C)C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.61
TP53 P04637 2/20 0.61
SLC2A1 P11166 1/20 0.53
HDAC3 O15379 4/20 0.50
HDAC4 P56524 4/20 0.50
HDAC1 Q13547 4/20 0.50
HDAC7 Q8WUI4 4/20 0.50
HDAC2 Q92769 4/20 0.50
HDAC10 Q969S8 4/20 0.50
HDAC11 Q96DB2 4/20 0.50
HDAC8 Q9BY41 4/20 0.50
HDAC6 Q9UBN7 4/20 0.50
HDAC9 Q9UKV0 4/20 0.50
HDAC5 Q9UQL6 4/20 0.50
DHODH Q02127 1/20 0.48
BCHE P06276 3/20 0.45
ACHE P22303 2/20 0.45
NOS3 P29474 2/20 0.45
NOS1 P29475 2/20 0.45
NOS2 P35228 2/20 0.45

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
SCHEMBL7609169 1.00 MAPT (0.61) MAPTTP53SLC2A1HDAC3HDAC4
SCHEMBL7614313 0.91 SLC2A1 (0.56) MAPTTP53SLC2A1HDAC1HDAC6
SCHEMBL7614317 0.91 SLC2A1 (0.56) MAPTTP53SLC2A1HDAC1HDAC6
SCHEMBL7618584 0.90 MAPT (0.51) MAPTTP53SLC2A1HDAC3HDAC4
SCHEMBL7618587 0.90 MAPT (0.51) MAPTTP53SLC2A1HDAC3HDAC4
SCHEMBL7609148 0.90 SLC2A1 (0.53) MAPTTP53SLC2A1HDAC6BCHE
SCHEMBL7609152 0.90 SLC2A1 (0.53) MAPTTP53SLC2A1HDAC6BCHE
SCHEMBL7615766 0.89 SLC2A1 (0.56) MAPTTP53SLC2A1HDAC1BCHE
SCHEMBL7615759 0.89 SLC2A1 (0.56) MAPTTP53SLC2A1HDAC1BCHE
SCHEMBL7610122 0.88 SLC2A1 (0.52) MAPTTP53SLC2A1HDAC6BCHE

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