SCHEMBL7612355

SCHEMBL7612355

CCCN(CCC)CCOc1cc(NC(=O)C=Cc2ccoc2)ccc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 10/20 0.46
ACHE P22303 10/20 0.46
SLC2A1 P11166 1/20 0.42
HDAC3 O15379 3/20 0.40
HDAC4 P56524 3/20 0.40
HDAC1 Q13547 3/20 0.40
HDAC7 Q8WUI4 3/20 0.40
HDAC2 Q92769 3/20 0.40
HDAC10 Q969S8 3/20 0.40
HDAC11 Q96DB2 3/20 0.40
HDAC8 Q9BY41 3/20 0.40
HDAC6 Q9UBN7 3/20 0.40
HDAC9 Q9UKV0 3/20 0.40
HDAC5 Q9UQL6 3/20 0.40
SAE1 Q9UBE0 1/20 0.40
UBA2 Q9UBT2 1/20 0.40
EGFR P00533 1/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL7606798 0.90 BCHE (0.54) BCHEACHESLC2A1MEN1KMT2A
SCHEMBL7612348 0.87 SLC2A1 (0.56) BCHEACHESLC2A1CA12CA9
SCHEMBL7612346 0.87 SLC2A1 (0.56) BCHEACHESLC2A1CA12CA9
SCHEMBL7619476 0.85 BCHE (0.54) BCHEACHESLC2A1MEN1KMT2A
SCHEMBL7617209 0.85 MEN1 (0.51) BCHEACHESLC2A1HDAC3HDAC4
SCHEMBL7615792 0.85 BCHE (0.47) BCHEACHESLC2A1HDAC3HDAC4
SCHEMBL7606829 0.83 BCHE (0.50) BCHEACHESLC2A1HDAC3HDAC4
SCHEMBL7612350 0.82 BCHE (0.54) BCHEACHESLC2A1HDAC3HDAC4
SCHEMBL7613193 0.81 NAMPT (0.56)
SCHEMBL7623125 0.79 MAPT (0.56) MEN1NPC1LMNARAB9AKMT2A

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