SCHEMBL7606974

SCHEMBL7606974

COc1ccc(NC(=O)/C=C/c2c(Cl)cccc2Cl)cc1OCCN(C(C)C)C(C)C

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.64
MCHR1 Q99705 13/20 0.53
HTR2C P28335 1/20 0.52
BCHE P06276 4/20 0.52
TP53 P04637 2/20 0.48
MAPT P10636 2/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ACHE P22303 3/20 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
SCHEMBL7606980 1.00 SLC2A1 (0.64) SLC2A1MCHR1HTR2CBCHETP53
SCHEMBL7609061 0.94 BCHE (0.62) SLC2A1MCHR1HTR2CBCHESMN1; SMN2
SCHEMBL7609057 0.94 BCHE (0.62) SLC2A1MCHR1HTR2CBCHESMN1; SMN2
SCHEMBL7608569 0.90 SLC2A1 (0.65) SLC2A1MCHR1HTR2CBCHETP53
SCHEMBL7608566 0.90 SLC2A1 (0.65) SLC2A1MCHR1HTR2CBCHETP53
SCHEMBL7606785 0.89 SLC2A1 (0.64) SLC2A1MCHR1HTR2CBCHEACHE
SCHEMBL7606779 0.89 SLC2A1 (0.64) SLC2A1MCHR1HTR2CBCHEACHE
SCHEMBL7619501 0.87 SLC2A1 (0.67) SLC2A1MCHR1HTR2CBCHETP53
SCHEMBL7614821 0.87 SLC2A1 (0.67) SLC2A1MCHR1HTR2CBCHETP53
SCHEMBL7606982 0.87 BCHE (0.52) SLC2A1MCHR1BCHETP53MAPT

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