SCHEMBL7606539

SCHEMBL7606539

COc1ccc(NC(=O)/C=C/c2ccoc2)cc1CCCN(C(C)C)C(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.51
MAPT P10636 4/20 0.42
TRPV1 Q8NER1 2/20 0.42
TP53 P04637 1/20 0.42
HTT P42858 1/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
POLB P06746 1/20 0.41
BCHE P06276 8/20 0.41
ACHE P22303 7/20 0.41
CA12 O43570 2/20 0.41
CA9 Q16790 2/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
NPC1 O15118 1/20 0.40

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
SCHEMBL7606541 1.00 SLC2A1 (0.51) SLC2A1MAPTTRPV1TP53HTT
SCHEMBL7606546 0.87 BCHE (0.46) MAPTTRPV1TP53HTTMEN1
SCHEMBL7619463 0.87 SLC2A1 (0.59) SLC2A1MAPTTRPV1TP53MEN1
SCHEMBL7619454 0.87 SLC2A1 (0.59) SLC2A1MAPTTRPV1TP53MEN1
SCHEMBL7609148 0.86 SLC2A1 (0.53) SLC2A1MAPTTRPV1TP53HTT
SCHEMBL7609152 0.86 SLC2A1 (0.53) SLC2A1MAPTTRPV1TP53HTT
SCHEMBL7607919 0.86 SLC2A1 (0.53) SLC2A1MAPTTRPV1TP53HTT
SCHEMBL7607923 0.86 SLC2A1 (0.53) SLC2A1MAPTTRPV1TP53HTT
SCHEMBL7621013 0.85 SLC2A1 (0.54) SLC2A1MAPTTRPV1TP53HTT
SCHEMBL7621018 0.85 SLC2A1 (0.54) SLC2A1MAPTTRPV1TP53HTT

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