SCHEMBL7609068

SCHEMBL7609068

CCCN(CCC)CCOc1cc(NC(=O)C=Cc2c(F)cccc2Cl)ccc1OC

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 5/20 0.62
ACHE P22303 4/20 0.49
RAB9A P51151 5/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
HPGD P15428 3/20 0.48
KMT2A Q03164 4/20 0.47
ABCG2 Q9UNQ0 1/20 0.47
NPC1 O15118 2/20 0.46
HTT P42858 1/20 0.46
SLC2A1 P11166 1/20 0.45
MAPT P10636 2/20 0.44
HDAC3 O15379 2/20 0.44
HDAC4 P56524 2/20 0.44
HDAC1 Q13547 2/20 0.44
HDAC7 Q8WUI4 2/20 0.44
HDAC2 Q92769 2/20 0.44
HDAC10 Q969S8 2/20 0.44
HDAC11 Q96DB2 2/20 0.44
HDAC8 Q9BY41 2/20 0.44
HDAC6 Q9UBN7 2/20 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
SCHEMBL7606789 0.94 BCHE (0.52) BCHEACHEABCG2SLC2A1
SCHEMBL7606982 0.94 BCHE (0.52) BCHEACHERAB9ASMN1; SMN2HPGD
SCHEMBL7609061 0.88 BCHE (0.62) BCHERAB9ASMN1; SMN2HPGDKMT2A
SCHEMBL7609057 0.88 BCHE (0.62) BCHERAB9ASMN1; SMN2HPGDKMT2A
SCHEMBL7608573 0.86 BCHE (0.54) BCHEACHERAB9ASMN1; SMN2KMT2A
SCHEMBL7605982 0.85 BCHE (0.58) BCHEACHERAB9ASMN1; SMN2HPGD
SCHEMBL7620225 0.83 BCHE (0.47) BCHEACHEKMT2ASLC2A1MAPT
SCHEMBL7609661 0.83 BCHE (0.47) BCHEACHEKMT2AHTTSLC2A1
SCHEMBL7619509 0.83 BCHE (0.58) BCHEACHERAB9ASMN1; SMN2KMT2A
SCHEMBL7609690 0.83 BCHE (0.58) BCHEACHERAB9ASMN1; SMN2KMT2A

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