SCHEMBL7606815

SCHEMBL7606815

Cc1ccc(NC(=O)/C=C/c2ccc(F)c(F)c2)cc1OCCN(C(C)C)C(C)C

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.59
CA12 O43570 4/20 0.49
CA9 Q16790 4/20 0.49
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
MCHR1 Q99705 7/20 0.46
BCHE P06276 8/20 0.45
ACHE P22303 7/20 0.45
HTR2C P28335 1/20 0.42

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
SCHEMBL7606822 1.00 SLC2A1 (0.59) SLC2A1CA12CA9CA1CA2
SCHEMBL12531209 0.90 SLC2A1 (0.62) SLC2A1MCHR1BCHEACHEHTR2C
SCHEMBL7616324 0.90 SLC2A1 (0.68) SLC2A1MCHR1BCHEACHEHTR2C
SCHEMBL7607742 0.90 SLC2A1 (0.68) SLC2A1MCHR1BCHEACHEHTR2C
SCHEMBL7617202 0.89 SLC2A1 (0.63) SLC2A1CA12CA9CA1CA2
SCHEMBL7617198 0.89 SLC2A1 (0.63) SLC2A1CA12CA9CA1CA2
SCHEMBL7606829 0.87 BCHE (0.50) SLC2A1CA12CA9CA1CA2
SCHEMBL7612344 0.86 SLC2A1 (0.63) SLC2A1MCHR1BCHEACHEHTR2C
SCHEMBL7612340 0.86 SLC2A1 (0.63) SLC2A1MCHR1BCHEACHEHTR2C
SCHEMBL7616800 0.85 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