SCHEMBL7612419

SCHEMBL7612419

COc1ccc(NC(=O)/C(F)=C/c2ccccc2)cc1OCCCN(C(C)C)C(C)C

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 15/20 0.52
HTR2C P28335 1/20 0.52
SLC2A1 P11166 1/20 0.52
C5 P01031 2/20 0.47
BCHE P06276 1/20 0.42
ACHE P22303 1/20 0.42
POLB P06746 1/20 0.41

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
SCHEMBL7612426 1.00 MCHR1 (0.52) MCHR1HTR2CSLC2A1C5BCHE
SCHEMBL7609706 0.95 MCHR1 (0.58) MCHR1HTR2CSLC2A1C5
SCHEMBL7609710 0.95 MCHR1 (0.58) MCHR1HTR2CSLC2A1C5
SCHEMBL7606992 0.87 SLC2A1 (0.44) MCHR1HTR2CSLC2A1POLB
SCHEMBL7612430 0.87 C5 (0.48) MCHR1C5BCHEACHE
SCHEMBL7606985 0.87 SLC2A1 (0.44) MCHR1HTR2CSLC2A1POLB
SCHEMBL7609714 0.84 MCHR1 (0.49) MCHR1HTR2CSLC2A1C5BCHE
SCHEMBL7618326 0.78 SLC2A1 (0.83) MCHR1HTR2CSLC2A1BCHEACHE
SCHEMBL7642917 0.78 SLC2A1 (0.83) MCHR1HTR2CSLC2A1BCHEACHE
SCHEMBL7613674 0.78 SLC2A1 (0.81) MCHR1HTR2CSLC2A1BCHEACHE

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