SCHEMBL7613360

SCHEMBL7613360

CCCN(CCC)CCCc1cc(NC(=O)C=Cc2ccsc2)ccc1OC

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BCHE P06276 9/20 0.46
ACHE P22303 8/20 0.46
MAPT P10636 3/20 0.44
TP53 P04637 2/20 0.44
POLB P06746 2/20 0.43
HTT P42858 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 1/20 0.43
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
TRPV1 Q8NER1 2/20 0.42
SLC2A1 P11166 1/20 0.41
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
THRB P10828 1/20 0.41

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
SCHEMBL7613357 0.88 SLC2A1 (0.51) BCHEACHEMAPTTP53POLB
SCHEMBL7613354 0.88 SLC2A1 (0.51) BCHEACHEMAPTTP53POLB
SCHEMBL7613705 0.87 BCHE (0.54) BCHEACHEMAPTTP53POLB
SCHEMBL7615771 0.85 BCHE (0.49) BCHEACHEMAPTTP53TRPV1
SCHEMBL7611228 0.85 MAPT (0.51) BCHEACHEMAPTTP53MEN1
SCHEMBL7609161 0.85 TP53 (0.50) BCHEACHEMAPTTP53POLB
SCHEMBL7614322 0.85 MAPT (0.53) BCHEACHEMAPTTP53MEN1
SCHEMBL7621024 0.85 IMPDH2 (0.50) BCHEACHEMAPTTP53HTT
SCHEMBL7607926 0.85 BCHE (0.47) BCHEACHEMAPTTP53POLB
SCHEMBL7614801 0.84 BCHE (0.51) BCHEACHEMAPTTP53POLB

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