SCHEMBL7605752

SCHEMBL7605752

CCCN(CCC)CCOc1cc(NC(=O)C=Cc2ccc(Br)cc2)ccc1OC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 10/20 0.58
ACHE P22303 9/20 0.58
HDAC1 Q13547 5/20 0.57
HDAC3 O15379 4/20 0.57
HDAC4 P56524 4/20 0.57
HDAC7 Q8WUI4 4/20 0.57
HDAC2 Q92769 4/20 0.57
HDAC10 Q969S8 4/20 0.57
HDAC11 Q96DB2 4/20 0.57
HDAC8 Q9BY41 4/20 0.57
HDAC6 Q9UBN7 4/20 0.57
HDAC9 Q9UKV0 4/20 0.57
HDAC5 Q9UQL6 4/20 0.57
SLC2A1 P11166 1/20 0.55
TRPV1 Q8NER1 1/20 0.53
MAPT P10636 2/20 0.49
MEN1 O00255 1/20 0.49
LMNA P02545 1/20 0.49
KMT2A Q03164 1/20 0.49
L3MBTL1 Q9Y468 1/20 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
SCHEMBL7615432 0.90 BCHE (0.58) BCHEACHEHDAC1HDAC3HDAC4
SCHEMBL7681881 0.90 BCHE (0.58) BCHEACHEHDAC1HDAC3HDAC4
SCHEMBL7613677 0.90 BCHE (0.65) BCHEACHESLC2A1TRPV1MEN1
SCHEMBL7613690 0.90 MAPT (0.63) BCHEACHESLC2A1MAPTMEN1
SCHEMBL7651296 0.89 SLC2A1 (0.58) BCHEACHEHDAC1SLC2A1TRPV1
SCHEMBL7615793 0.89 ACHE (0.56) BCHEACHEHDAC1SLC2A1TRPV1
SCHEMBL7622423 0.89 BCHE (0.55) BCHEACHEHDAC1SLC2A1TRPV1
SCHEMBL7610655 0.88 BCHE (0.56) BCHEACHEHDAC1HDAC3HDAC4
SCHEMBL7605964 0.88 TRPV1 (0.58) BCHEACHEHDAC1HDAC3HDAC4
SCHEMBL7606858 0.88 BCHE (0.59) BCHEACHESLC2A1TRPV1MAPT

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