SCHEMBL7606789

SCHEMBL7606789

CCCN(CCC)CCOc1cc(NC(=O)C=Cc2c(F)cccc2F)ccc1OC

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BCHE P06276 15/20 0.52
ACHE P22303 13/20 0.52
ABCG2 Q9UNQ0 1/20 0.52
SLC2A1 P11166 1/20 0.48
PDE4D Q08499 1/20 0.46
MCHR1 Q99705 1/20 0.44
TRPV1 Q8NER1 1/20 0.43

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
SCHEMBL7609068 0.94 BCHE (0.62) BCHEACHEABCG2SLC2A1
SCHEMBL7606982 0.89 BCHE (0.52) BCHEACHESLC2A1MCHR1
SCHEMBL7609690 0.87 BCHE (0.58) BCHEACHESLC2A1
SCHEMBL7606779 0.87 SLC2A1 (0.64) BCHEACHEABCG2SLC2A1MCHR1
SCHEMBL7606785 0.87 SLC2A1 (0.64) BCHEACHEABCG2SLC2A1MCHR1
SCHEMBL7612385 0.86 BCHE (0.49) BCHEACHESLC2A1TRPV1
SCHEMBL7616332 0.86 BCHE (0.58) BCHEACHESLC2A1TRPV1
SCHEMBL7606658 0.86 BCHE (0.55) BCHEACHESLC2A1TRPV1
SCHEMBL7681881 0.86 BCHE (0.58) BCHEACHESLC2A1TRPV1
SCHEMBL7613677 0.85 BCHE (0.65) BCHEACHESLC2A1TRPV1

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