SCHEMBL7606797

SCHEMBL7606797

COc1ccc(NC(=O)C=Cc2ccc(Br)cc2F)cc1OCCN(C(C)C)C(C)C

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.58
MEN1 O00255 4/20 0.50
MAPT P10636 4/20 0.50
KMT2A Q03164 4/20 0.50
LMNA P02545 3/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
KDM4E B2RXH2 1/20 0.48
MCHR1 Q99705 13/20 0.47
HTR2C P28335 1/20 0.47
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
EGFR P00533 1/20 0.42

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
SCHEMBL7606792 1.00 SLC2A1 (0.58) SLC2A1MEN1MAPTKMT2ALMNA
SCHEMBL7609651 0.91 SLC2A1 (0.59) SLC2A1KDM4EMCHR1HTR2CCA12
SCHEMBL7609658 0.91 SLC2A1 (0.59) SLC2A1KDM4EMCHR1HTR2CCA12
SCHEMBL7613683 0.91 SLC2A1 (0.61) SLC2A1MEN1MAPTKMT2ALMNA
SCHEMBL7613686 0.91 SLC2A1 (0.61) SLC2A1MEN1MAPTKMT2ALMNA
SCHEMBL7620216 0.90 SLC2A1 (0.58) SLC2A1MAPTMCHR1HTR2CCA12
SCHEMBL7620213 0.90 SLC2A1 (0.58) SLC2A1MAPTMCHR1HTR2CCA12
SCHEMBL7606802 0.88 MEN1 (0.52) SLC2A1MEN1MAPTKMT2ALMNA
SCHEMBL7612377 0.86 SLC2A1 (0.60) SLC2A1KDM4EMCHR1HTR2C
SCHEMBL7612381 0.86 SLC2A1 (0.60) SLC2A1KDM4EMCHR1HTR2C

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