SCHEMBL7618591

SCHEMBL7618591

CCCN(CCC)CCCc1cc(NC(=O)C=Cc2ccc(Cl)c([N+](=O)[O-])c2)ccc1OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.53
TP53 P04637 2/20 0.53
MEN1 O00255 7/20 0.51
KMT2A Q03164 7/20 0.51
POLB P06746 3/20 0.51
USP2 O75604 1/20 0.48
RECQL P46063 1/20 0.48
MCL1 Q07820 1/20 0.48
CTDSP1 Q9GZU7 1/20 0.48
HPGD P15428 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
HTT P42858 1/20 0.47
BCHE P06276 7/20 0.46
ACHE P22303 7/20 0.46
NPC1 O15118 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HDAC3 O15379 3/20 0.44
HDAC4 P56524 3/20 0.44

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
SCHEMBL7609170 0.90 TP53 (0.64) MAPTTP53MEN1KMT2AHTT
SCHEMBL7618584 0.89 MAPT (0.51) MAPTTP53MEN1KMT2APOLB
SCHEMBL7618587 0.89 MAPT (0.51) MAPTTP53MEN1KMT2APOLB
SCHEMBL7614322 0.86 MAPT (0.53) MAPTTP53MEN1KMT2AHPGD
SCHEMBL7617279 0.86 MAPT (0.54) MAPTTP53MEN1KMT2APOLB
SCHEMBL7609161 0.84 TP53 (0.50) MAPTTP53MEN1KMT2APOLB
SCHEMBL7610127 0.84 IMPDH2 (0.51) MAPTTP53MEN1KMT2AHPGD
SCHEMBL7614801 0.84 BCHE (0.51) MAPTTP53MEN1KMT2APOLB
SCHEMBL7612338 0.83 BCHE (0.50) MAPTTP53MEN1KMT2AHPGD
SCHEMBL7612365 0.83 MAPT (0.54) MAPTTP53MEN1KMT2APOLB

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