SCHEMBL7606546

SCHEMBL7606546

CCCN(CCC)CCCc1cc(NC(=O)C=Cc2ccoc2)ccc1OC

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BCHE P06276 10/20 0.46
ACHE P22303 9/20 0.46
MAPT P10636 4/20 0.44
TP53 P04637 2/20 0.44
TRPV1 Q8NER1 2/20 0.42
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
POLB P06746 2/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HTT P42858 1/20 0.41
THRB P10828 1/20 0.41
HPGD P15428 1/20 0.40

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
SCHEMBL7606541 0.87 SLC2A1 (0.51) BCHEACHEMAPTTP53TRPV1
SCHEMBL7606539 0.87 SLC2A1 (0.51) BCHEACHEMAPTTP53TRPV1
SCHEMBL7619476 0.87 BCHE (0.54) BCHEACHEMAPTTP53TRPV1
SCHEMBL7610076 0.85 ACHE (0.48) BCHEACHEMAPTTP53TRPV1
SCHEMBL7615771 0.85 BCHE (0.49) BCHEACHEMAPTTP53TRPV1
SCHEMBL7611228 0.85 MAPT (0.51) BCHEACHEMAPTTP53TRPV1
SCHEMBL7607926 0.85 BCHE (0.47) BCHEACHEMAPTTP53TRPV1
SCHEMBL7614322 0.85 MAPT (0.53) BCHEACHEMAPTTP53TRPV1
SCHEMBL7621024 0.85 IMPDH2 (0.50) BCHEACHEMAPTTP53TRPV1
SCHEMBL7609161 0.85 TP53 (0.50) BCHEACHEMAPTTP53TRPV1

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