SCHEMBL7611228

SCHEMBL7611228

CCCN(CCC)CCCc1cc(NC(=O)C=Cc2ccc(Br)cc2)ccc1OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.51
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
LMNA P02545 3/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
BCHE P06276 7/20 0.49
ACHE P22303 7/20 0.49
HDAC1 Q13547 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
HDAC8 Q9BY41 2/20 0.49
HDAC6 Q9UBN7 2/20 0.49
HDAC9 Q9UKV0 2/20 0.49
HDAC5 Q9UQL6 2/20 0.49
TRPV1 Q8NER1 2/20 0.48
TP53 P04637 2/20 0.48

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
SCHEMBL7614322 0.91 MAPT (0.53) MAPTMEN1KMT2ALMNABCHE
SCHEMBL7615771 0.91 BCHE (0.49) MAPTBCHEACHEHDAC1TRPV1
SCHEMBL7613270 0.90 MAPT (0.65) MAPTMEN1KMT2ALMNAL3MBTL1
SCHEMBL7610076 0.89 ACHE (0.48) MAPTBCHEACHETRPV1TP53
SCHEMBL7621024 0.89 IMPDH2 (0.50) MAPTMEN1KMT2ALMNABCHE
SCHEMBL7606671 0.88 BCHE (0.48) MAPTMEN1KMT2ALMNAL3MBTL1
SCHEMBL7617418 0.88 MCHR1 (0.58) BCHEACHETRPV1MCHR1
SCHEMBL7614801 0.88 BCHE (0.51) MAPTMEN1KMT2ALMNABCHE
SCHEMBL7612338 0.87 BCHE (0.50) MAPTMEN1KMT2ALMNABCHE
SCHEMBL7609170 0.87 TP53 (0.64) MAPTMEN1KMT2ABCHEACHE

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