SCHEMBL7608320

SCHEMBL7608320

CCCN(CCC)CCOc1cc(NC(=O)C=Cc2ccc(Cl)cc2Cl)ccc1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
MCHR1 Q99705 1/20 0.49
GLA P06280 1/20 0.49
HPGD P15428 1/20 0.49
BCHE P06276 4/20 0.49
ACHE P22303 4/20 0.49
MEN1 O00255 3/20 0.47
MAPT P10636 3/20 0.47
KMT2A Q03164 3/20 0.47
LMNA P02545 3/20 0.47
TP53 P04637 1/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
POLB P06746 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
SLC2A1 P11166 1/20 0.45
CTDSP1 Q9GZU7 1/20 0.44
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44

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
SCHEMBL7620225 0.91 BCHE (0.47) BCHEACHEMEN1MAPTKMT2A
SCHEMBL7609661 0.91 BCHE (0.47) ALDH1A1BCHEACHEMEN1MAPT
SCHEMBL7608573 0.90 BCHE (0.54) ALDH1A1MCHR1BCHEACHEMEN1
SCHEMBL7615432 0.88 BCHE (0.58) ALDH1A1BCHEACHEMEN1MAPT
SCHEMBL7608309 0.87 SLC2A1 (0.59) ALDH1A1MCHR1GLAHPGDMEN1
SCHEMBL7608313 0.87 SLC2A1 (0.59) ALDH1A1MCHR1GLAHPGDMEN1
SCHEMBL7612316 0.87 BCHE (0.48) ALDH1A1BCHEACHEMEN1MAPT
SCHEMBL7619509 0.85 BCHE (0.58) ALDH1A1MCHR1BCHEACHEMEN1
SCHEMBL7606982 0.85 BCHE (0.52) ALDH1A1MCHR1GLAHPGDBCHE
SCHEMBL7615361 0.85 MCHR1 (0.51) ALDH1A1MCHR1GLAHPGDMEN1

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