SCHEMBL7606985

SCHEMBL7606985

COc1ccc(NC(=O)/C(F)=C/c2ccccc2)cc1CCCN(C(C)C)C(C)C

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.44
MCHR1 Q99705 13/20 0.44
HTR2C P28335 1/20 0.44
POLB P06746 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
HTR1D P28221 1/20 0.38
HTR1B P28222 1/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
KMT2A Q03164 1/20 0.38
RELA Q04206 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL7606992 1.00 SLC2A1 (0.44) SLC2A1MCHR1HTR2CPOLBNPC1
SCHEMBL7606995 0.87 ACHE (0.40) POLB
SCHEMBL7612426 0.87 MCHR1 (0.52) SLC2A1MCHR1HTR2CPOLB
SCHEMBL7612419 0.87 MCHR1 (0.52) SLC2A1MCHR1HTR2CPOLB
SCHEMBL7609706 0.84 MCHR1 (0.58) SLC2A1MCHR1HTR2C
SCHEMBL7609710 0.84 MCHR1 (0.58) SLC2A1MCHR1HTR2C
SCHEMBL6896350 0.78 MCHR1 (0.60) MCHR1HTR2CHTR1DHTR1B
SCHEMBL6928002 0.78 MCHR1 (0.71) MCHR1HTR2CHTR1DHTR1B
SCHEMBL7614269 0.77 SLC2A1 (0.52) SLC2A1NPC1RAB9ALMNAMAPT
SCHEMBL7614271 0.77 SLC2A1 (0.52) SLC2A1NPC1RAB9ALMNAMAPT

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