SCHEMBL7606802

SCHEMBL7606802

CCCN(CCC)CCOc1cc(NC(=O)C=Cc2ccc(Br)cc2F)ccc1OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.52
MAPT P10636 4/20 0.52
KMT2A Q03164 4/20 0.52
LMNA P02545 4/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
KDM4E B2RXH2 2/20 0.48
BCHE P06276 5/20 0.47
ACHE P22303 5/20 0.47
EGFR P00533 4/20 0.44
SLC2A1 P11166 1/20 0.44
KDR P35968 3/20 0.43
ERBB2 P04626 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 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
SCHEMBL7609663 0.91 BCHE (0.49) MEN1MAPTKMT2ALMNAL3MBTL1
SCHEMBL7613690 0.91 MAPT (0.63) MEN1MAPTKMT2ALMNAL3MBTL1
SCHEMBL7620225 0.90 BCHE (0.47) MEN1MAPTKMT2ALMNAL3MBTL1
SCHEMBL7606792 0.88 SLC2A1 (0.58) MEN1MAPTKMT2ALMNAL3MBTL1
SCHEMBL7606797 0.88 SLC2A1 (0.58) MEN1MAPTKMT2ALMNAL3MBTL1
SCHEMBL7612385 0.86 BCHE (0.49) MEN1MAPTKMT2ALMNAL3MBTL1
SCHEMBL7605752 0.86 BCHE (0.58) MEN1MAPTKMT2ALMNAL3MBTL1
SCHEMBL7618581 0.85 MAPT (0.54) MEN1MAPTKMT2ALMNAL3MBTL1
SCHEMBL7610655 0.84 BCHE (0.56) MEN1MAPTKMT2ABCHEACHE
SCHEMBL7609661 0.84 BCHE (0.47) MEN1MAPTKMT2ALMNAL3MBTL1

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