SCHEMBL7612949

SCHEMBL7612949

CCCc1ccc(C=CC(=O)Nc2ccc(OC)c(OCCCN(CCC)CCC)c2)cc1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BCHE P06276 14/20 0.58
ACHE P22303 13/20 0.58
CNR2 P34972 2/20 0.52
TRPV1 Q8NER1 1/20 0.52
SLC2A1 P11166 1/20 0.51
TP53 P04637 1/20 0.49
MAPT P10636 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
SCHEMBL7620255 0.90 BCHE (0.58) BCHEACHETRPV1SLC2A1TP53
SCHEMBL7618445 0.88 BCHE (0.57) BCHEACHETRPV1SLC2A1TP53
SCHEMBL7614846 0.88 BCHE (0.56) BCHEACHECNR2TRPV1SLC2A1
SCHEMBL7615771 0.88 BCHE (0.49) BCHEACHETRPV1TP53MAPT
SCHEMBL7613897 0.87 BCHE (0.60) BCHEACHETRPV1SLC2A1TP53
SCHEMBL7616812 0.86 BCHE (0.59) BCHEACHESLC2A1TP53MAPT
SCHEMBL7612442 0.85 BCHE (0.63) BCHEACHESLC2A1TP53MAPT
SCHEMBL7605752 0.85 BCHE (0.58) BCHEACHETRPV1SLC2A1TP53
SCHEMBL7681881 0.85 BCHE (0.58) BCHEACHETRPV1SLC2A1
SCHEMBL7615432 0.85 BCHE (0.58) BCHEACHETRPV1SLC2A1TP53

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