SCHEMBL7616804

SCHEMBL7616804

COc1ccc(NC(=O)C=Cc2ccc(F)c(F)c2)cc1OCCCN(C(C)C)C(C)C

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.62
BCHE P06276 14/20 0.54
ACHE P22303 13/20 0.54
HDAC3 O15379 2/20 0.50
HDAC4 P56524 2/20 0.50
HDAC1 Q13547 2/20 0.50
HDAC7 Q8WUI4 2/20 0.50
HDAC2 Q92769 2/20 0.50
HDAC10 Q969S8 2/20 0.50
HDAC11 Q96DB2 2/20 0.50
HDAC8 Q9BY41 2/20 0.50
HDAC6 Q9UBN7 2/20 0.50
HDAC9 Q9UKV0 2/20 0.50
HDAC5 Q9UQL6 2/20 0.50
POLB P06746 1/20 0.49
GAA P10253 1/20 0.49
TP53 P04637 1/20 0.48
MAPT P10636 1/20 0.48
TRPV1 Q8NER1 1/20 0.48

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
SCHEMBL7616800 1.00 SLC2A1 (0.62) SLC2A1BCHEACHEHDAC3HDAC4
SCHEMBL7607742 0.95 SLC2A1 (0.68) SLC2A1BCHEACHEHDAC3HDAC4
SCHEMBL7616324 0.95 SLC2A1 (0.68) SLC2A1BCHEACHEHDAC3HDAC4
SCHEMBL7620250 0.89 SLC2A1 (0.66) SLC2A1BCHEACHEHDAC3HDAC4
SCHEMBL7620249 0.89 SLC2A1 (0.66) SLC2A1BCHEACHEHDAC3HDAC4
SCHEMBL7613892 0.88 SLC2A1 (0.63) SLC2A1BCHEACHEPOLBGAA
SCHEMBL7613887 0.88 SLC2A1 (0.63) SLC2A1BCHEACHEPOLBGAA
SCHEMBL7610647 0.88 SLC2A1 (0.65) SLC2A1BCHEACHEHDAC3HDAC4
SCHEMBL7610646 0.88 SLC2A1 (0.65) SLC2A1BCHEACHEHDAC3HDAC4
SCHEMBL7616812 0.87 BCHE (0.59) SLC2A1BCHEACHEHDAC3HDAC4

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