SCHEMBL7612434

SCHEMBL7612434

CCCN(CCC)CCOc1cc(NC(=O)/C=C/c2ccc(Cl)c(C(F)(F)F)c2)ccc1OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.54
TP53 P04637 1/20 0.54
BCHE P06276 10/20 0.54
ACHE P22303 9/20 0.54
MEN1 O00255 2/20 0.49
ALDH1A1 P00352 2/20 0.49
HPGD P15428 2/20 0.49
KMT2A Q03164 2/20 0.49
KDM4E B2RXH2 1/20 0.49
HDAC1 Q13547 3/20 0.49
HDAC8 Q9BY41 3/20 0.49
HDAC6 Q9UBN7 3/20 0.49
HDAC3 O15379 2/20 0.49
HDAC4 P56524 2/20 0.49
HDAC7 Q8WUI4 2/20 0.49
HDAC2 Q92769 2/20 0.49
HDAC10 Q969S8 2/20 0.49
HDAC11 Q96DB2 2/20 0.49
HDAC9 Q9UKV0 2/20 0.49
HDAC5 Q9UQL6 2/20 0.49

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
SCHEMBL7608004 0.90 TP53 (0.65) MAPTTP53BCHEACHEMEN1
SCHEMBL7612420 0.88 SLC2A1 (0.62) MAPTTP53BCHEACHEMEN1
SCHEMBL7614286 0.88 TP53 (0.57) MAPTTP53BCHEACHEMEN1
SCHEMBL7605964 0.87 TRPV1 (0.58) MAPTBCHEACHEMEN1ALDH1A1
SCHEMBL7615432 0.86 BCHE (0.58) MAPTTP53BCHEACHEMEN1
SCHEMBL7617279 0.85 MAPT (0.54) MAPTTP53BCHEACHEMEN1
SCHEMBL7613721 0.85 MEN1 (0.59) MAPTBCHEACHEMEN1KMT2A
SCHEMBL7616332 0.84 BCHE (0.58) MAPTTP53BCHEACHEMEN1
SCHEMBL7681881 0.84 BCHE (0.58) BCHEACHEMEN1ALDH1A1HPGD
SCHEMBL7619509 0.84 BCHE (0.58) MAPTTP53BCHEACHEMEN1

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