SCHEMBL7615420

SCHEMBL7615420

CCCN(CCC)CCCc1cc(NC(=O)C=Cc2cc(F)ccc2F)ccc1OC

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.45
LMNA P02545 7/20 0.45
MEN1 O00255 7/20 0.45
KMT2A Q03164 7/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
BCHE P06276 6/20 0.42
ACHE P22303 6/20 0.42
IMPDH2 P12268 1/20 0.40
KDM4E B2RXH2 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
ALDH1A1 P00352 3/20 0.40
NPC1 O15118 2/20 0.40
NFKB1 P19838 2/20 0.40
RAB9A P51151 2/20 0.40
NFKB2 Q00653 2/20 0.40
RELA Q04206 2/20 0.40
RECQL P46063 2/20 0.40
TP53 P04637 1/20 0.40

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
SCHEMBL7613260 0.94 MAPT (0.44) MAPTLMNAMEN1KMT2AL3MBTL1
SCHEMBL7608561 0.90 MAPT (0.44) MAPTLMNAMEN1KMT2AL3MBTL1
SCHEMBL7622379 0.89 MAPT (0.43) MAPTLMNAMEN1KMT2AL3MBTL1
SCHEMBL7615418 0.87 SLC2A1 (0.47) MAPTLMNAMEN1KMT2AL3MBTL1
SCHEMBL7615413 0.87 SLC2A1 (0.47) MAPTLMNAMEN1KMT2AL3MBTL1
SCHEMBL7612338 0.87 BCHE (0.50) MAPTLMNAMEN1KMT2ABCHE
SCHEMBL7607926 0.87 BCHE (0.47) MAPTLMNAMEN1KMT2AL3MBTL1
SCHEMBL7618581 0.87 MAPT (0.54) MAPTLMNAMEN1KMT2AL3MBTL1
SCHEMBL7614275 0.86 SMN1; SMN2 (0.52) MAPTLMNAKMT2ABCHEACHE
SCHEMBL7606652 0.86 BCHE (0.48) MAPTLMNAMEN1KMT2AL3MBTL1

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