SCHEMBL7613263

SCHEMBL7613263

COc1ccc(Br)cc1/C=C/C(=O)Nc1ccc(OC)c(CCCN(C(C)C)C(C)C)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.62
MEN1 O00255 7/20 0.62
KMT2A Q03164 7/20 0.62
LMNA P02545 7/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
KDM4E B2RXH2 6/20 0.58
NPSR1 Q6W5P4 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C19 P33261 1/20 0.51
ALDH1A1 P00352 5/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
HTT P42858 2/20 0.48
ATM Q13315 2/20 0.48
MITF O75030 1/20 0.48
PAX8 Q06710 1/20 0.48
SLC2A1 P11166 1/20 0.47
HPGD P15428 1/20 0.46
GLA P06280 1/20 0.45
TP53 P04637 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
SCHEMBL7613265 1.00 MAPT (0.62) MAPTMEN1KMT2ALMNAL3MBTL1
SCHEMBL7618579 0.91 MAPT (0.52) MAPTMEN1KMT2ALMNAL3MBTL1
SCHEMBL7618574 0.91 MAPT (0.52) MAPTMEN1KMT2ALMNAL3MBTL1
SCHEMBL7611226 0.90 SLC2A1 (0.56) MAPTMEN1KMT2ALMNAL3MBTL1
SCHEMBL7611221 0.90 SLC2A1 (0.56) MAPTMEN1KMT2ALMNAL3MBTL1
SCHEMBL7613270 0.87 MAPT (0.65) MAPTMEN1KMT2ALMNAL3MBTL1
SCHEMBL7615413 0.84 SLC2A1 (0.47) MAPTMEN1KMT2ALMNAL3MBTL1
SCHEMBL7612359 0.84 MAPT (0.52) MAPTMEN1KMT2ALMNAKDM4E
SCHEMBL7612356 0.84 MAPT (0.52) MAPTMEN1KMT2ALMNAKDM4E
SCHEMBL7615418 0.84 SLC2A1 (0.47) MAPTMEN1KMT2ALMNAL3MBTL1

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