SCHEMBL7606852

SCHEMBL7606852

COc1ccc(NC(=O)C=Cc2ccc(C)c(C)c2)cc1OCCN(C(C)C)C(C)C

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.69
BCHE P06276 10/20 0.54
ACHE P22303 9/20 0.54
POLB P06746 2/20 0.51
GAA P10253 1/20 0.51
MCHR1 Q99705 5/20 0.51
MAPT P10636 2/20 0.50
TP53 P04637 1/20 0.50
TRPV1 Q8NER1 1/20 0.50
HTR2C P28335 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49

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
SCHEMBL7606847 1.00 SLC2A1 (0.69) SLC2A1BCHEACHEPOLBGAA
SCHEMBL7613892 0.95 SLC2A1 (0.63) SLC2A1BCHEACHEPOLBGAA
SCHEMBL7613887 0.95 SLC2A1 (0.63) SLC2A1BCHEACHEPOLBGAA
SCHEMBL12531209 0.92 SLC2A1 (0.62) SLC2A1BCHEACHEMCHR1HTR2C
SCHEMBL7614281 0.92 SLC2A1 (0.66) SLC2A1BCHEACHEPOLBGAA
SCHEMBL4008971 0.88 SLC2A1 (0.68) SLC2A1BCHEACHEPOLBGAA
SCHEMBL7616324 0.88 SLC2A1 (0.68) SLC2A1BCHEACHEPOLBGAA
SCHEMBL4008970 0.88 SLC2A1 (0.68) SLC2A1BCHEACHEPOLBGAA
SCHEMBL7607742 0.88 SLC2A1 (0.68) SLC2A1BCHEACHEPOLBGAA
SCHEMBL7618033 0.88 SLC2A1 (0.73) SLC2A1BCHEACHEPOLBGAA

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