SCHEMBL7606779

SCHEMBL7606779

COc1ccc(NC(=O)/C=C/c2c(F)cccc2F)cc1OCCN(C(C)C)C(C)C

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.64
MCHR1 Q99705 14/20 0.53
HTR2C P28335 1/20 0.52
ABCG2 Q9UNQ0 1/20 0.52
BCHE P06276 4/20 0.52
ACHE P22303 3/20 0.47

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
SCHEMBL7606785 1.00 SLC2A1 (0.64) SLC2A1MCHR1HTR2CABCG2BCHE
SCHEMBL7609057 0.94 BCHE (0.62) SLC2A1MCHR1HTR2CABCG2BCHE
SCHEMBL7609061 0.94 BCHE (0.62) SLC2A1MCHR1HTR2CABCG2BCHE
SCHEMBL7606980 0.89 SLC2A1 (0.64) SLC2A1MCHR1HTR2CBCHEACHE
SCHEMBL7606974 0.89 SLC2A1 (0.64) SLC2A1MCHR1HTR2CBCHEACHE
SCHEMBL7609687 0.87 SLC2A1 (0.67) SLC2A1MCHR1HTR2CBCHEACHE
SCHEMBL7609682 0.87 SLC2A1 (0.67) SLC2A1MCHR1HTR2CBCHEACHE
SCHEMBL7606789 0.87 BCHE (0.52) SLC2A1MCHR1ABCG2BCHEACHE
SCHEMBL7606657 0.87 SLC2A1 (0.68) SLC2A1MCHR1HTR2CBCHEACHE
SCHEMBL7606654 0.87 SLC2A1 (0.68) SLC2A1MCHR1HTR2CBCHEACHE

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