SCHEMBL7613892

SCHEMBL7613892

COc1ccc(NC(=O)C=Cc2ccc(C)c(C)c2)cc1OCCCN(C(C)C)C(C)C

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.63
BCHE P06276 14/20 0.55
ACHE P22303 13/20 0.55
POLB P06746 2/20 0.50
GAA P10253 1/20 0.50
MAPT P10636 2/20 0.49
TP53 P04637 1/20 0.49
TRPV1 Q8NER1 1/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL7613887 1.00 SLC2A1 (0.63) SLC2A1BCHEACHEPOLBGAA
SCHEMBL7606852 0.95 SLC2A1 (0.69) SLC2A1BCHEACHEPOLBGAA
SCHEMBL7606847 0.95 SLC2A1 (0.69) SLC2A1BCHEACHEPOLBGAA
SCHEMBL7616800 0.88 SLC2A1 (0.62) SLC2A1BCHEACHEPOLBGAA
SCHEMBL7616804 0.88 SLC2A1 (0.62) SLC2A1BCHEACHEPOLBGAA
SCHEMBL7620249 0.88 SLC2A1 (0.66) SLC2A1BCHEACHEMAPTTP53
SCHEMBL7612941 0.88 SLC2A1 (0.66) SLC2A1BCHEACHEPOLBGAA
SCHEMBL7620250 0.88 SLC2A1 (0.66) SLC2A1BCHEACHEMAPTTP53
SCHEMBL7612936 0.88 SLC2A1 (0.66) SLC2A1BCHEACHEPOLBGAA
SCHEMBL12531209 0.88 SLC2A1 (0.62) SLC2A1BCHEACHE

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