SCHEMBL7613686

SCHEMBL7613686

COc1ccc(Br)cc1C=CC(=O)Nc1ccc(OC)c(OCCN(C(C)C)C(C)C)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.61
MAPT P10636 6/20 0.61
MEN1 O00255 6/20 0.61
KMT2A Q03164 6/20 0.61
LMNA P02545 4/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
KDM4E B2RXH2 4/20 0.59
NPSR1 Q6W5P4 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C19 P33261 1/20 0.52
ALDH1A1 P00352 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
MCHR1 Q99705 9/20 0.50
HTR2C P28335 1/20 0.50
MITF O75030 1/20 0.48
HTT P42858 1/20 0.48
PAX8 Q06710 1/20 0.48
ATM Q13315 1/20 0.48
RECQL P46063 1/20 0.47

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
SCHEMBL7613683 1.00 SLC2A1 (0.61) SLC2A1MAPTMEN1KMT2ALMNA
SCHEMBL7606792 0.91 SLC2A1 (0.58) SLC2A1MAPTMEN1KMT2ALMNA
SCHEMBL7606797 0.91 SLC2A1 (0.58) SLC2A1MAPTMEN1KMT2ALMNA
SCHEMBL7605747 0.90 SLC2A1 (0.73) SLC2A1MAPTMCHR1HTR2C
SCHEMBL7605745 0.90 SLC2A1 (0.73) SLC2A1MAPTMCHR1HTR2C
SCHEMBL7613690 0.87 MAPT (0.63) SLC2A1MAPTMEN1KMT2ALMNA
SCHEMBL7613263 0.84 MAPT (0.62) SLC2A1MAPTMEN1KMT2ALMNA
SCHEMBL7612381 0.84 SLC2A1 (0.60) SLC2A1KDM4EALDH1A1MCHR1HTR2C
SCHEMBL7612377 0.84 SLC2A1 (0.60) SLC2A1KDM4EALDH1A1MCHR1HTR2C
SCHEMBL7608566 0.84 SLC2A1 (0.65) SLC2A1MAPTMEN1KMT2ALMNA

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