SCHEMBL7609148

SCHEMBL7609148

COc1ccc(NC(=O)/C=C/c2cc(Cl)cc(Cl)c2)cc1CCCN(C(C)C)C(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.53
MAPT P10636 4/20 0.48
TP53 P04637 3/20 0.48
GCGR P47871 1/20 0.45
CA12 O43570 3/20 0.44
CA9 Q16790 3/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
TRPV1 Q8NER1 3/20 0.44
HTT P42858 2/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
GAA P10253 2/20 0.43
POLB P06746 1/20 0.43
BCHE P06276 2/20 0.43
ACHE P22303 1/20 0.43
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43

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
SCHEMBL7609152 1.00 SLC2A1 (0.53) SLC2A1MAPTTP53GCGRCA12
SCHEMBL7614317 0.93 SLC2A1 (0.56) SLC2A1MAPTTP53TRPV1MEN1
SCHEMBL7614313 0.93 SLC2A1 (0.56) SLC2A1MAPTTP53TRPV1MEN1
SCHEMBL7610122 0.93 SLC2A1 (0.52) SLC2A1MAPTTP53TRPV1HTT
SCHEMBL7610119 0.93 SLC2A1 (0.52) SLC2A1MAPTTP53TRPV1HTT
SCHEMBL7609165 0.90 MAPT (0.61) SLC2A1MAPTTP53GCGRCA12
SCHEMBL7609169 0.90 MAPT (0.61) SLC2A1MAPTTP53GCGRCA12
SCHEMBL7615759 0.90 SLC2A1 (0.56) SLC2A1MAPTTP53GCGRCA12
SCHEMBL7615766 0.90 SLC2A1 (0.56) SLC2A1MAPTTP53GCGRCA12
SCHEMBL7607923 0.89 SLC2A1 (0.53) SLC2A1MAPTTP53CA12CA9

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