SCHEMBL7609663

SCHEMBL7609663

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

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BCHE P06276 8/20 0.49
ACHE P22303 8/20 0.49
SLC2A1 P11166 1/20 0.45
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
RECQL P46063 1/20 0.43
CA12 O43570 2/20 0.43
CA9 Q16790 2/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
IMPDH2 P12268 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
SCHEMBL7612385 0.94 BCHE (0.49) BCHEACHESLC2A1KDM4EALDH1A1
SCHEMBL7609661 0.91 BCHE (0.47) BCHEACHESLC2A1KDM4EALDH1A1
SCHEMBL7620225 0.91 BCHE (0.47) BCHEACHESLC2A1CA12CA9
SCHEMBL7606802 0.91 MEN1 (0.52) BCHEACHESLC2A1KDM4ECA12
SCHEMBL7681881 0.88 BCHE (0.58) BCHEACHESLC2A1ALDH1A1MEN1
SCHEMBL7609658 0.87 SLC2A1 (0.59) BCHEACHESLC2A1KDM4EALDH1A1
SCHEMBL7609651 0.87 SLC2A1 (0.59) BCHEACHESLC2A1KDM4EALDH1A1
SCHEMBL7612316 0.87 BCHE (0.48) BCHEACHESLC2A1KDM4EALDH1A1
SCHEMBL7606658 0.86 BCHE (0.55) BCHEACHESLC2A1ALDH1A1MEN1
SCHEMBL7609690 0.85 BCHE (0.58) BCHEACHESLC2A1LMNAMAPT

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