SCHEMBL7605982

SCHEMBL7605982

CCCN(CCC)CCCc1cc(NC(=O)C=Cc2c(F)cccc2Cl)ccc1OC

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BCHE P06276 6/20 0.58
RAB9A P51151 5/20 0.47
SMN1; SMN2 Q16637 5/20 0.47
HPGD P15428 4/20 0.47
NPC1 O15118 3/20 0.45
KMT2A Q03164 4/20 0.45
MAPT P10636 3/20 0.44
TP53 P04637 2/20 0.44
ALDH1A1 P00352 2/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 2/20 0.43
MEN1 O00255 2/20 0.43
ACHE P22303 5/20 0.42
ABCG2 Q9UNQ0 1/20 0.41

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
SCHEMBL7606652 0.94 BCHE (0.48) BCHEKMT2AMAPTTP53ALDH1A1
SCHEMBL7616836 0.94 MAPT (0.50) BCHERAB9ASMN1; SMN2HPGDKMT2A
SCHEMBL7605978 0.88 BCHE (0.58) BCHERAB9ASMN1; SMN2HPGDNPC1
SCHEMBL7605980 0.88 BCHE (0.58) BCHERAB9ASMN1; SMN2HPGDNPC1
SCHEMBL7612365 0.86 MAPT (0.54) BCHERAB9ASMN1; SMN2NPC1KMT2A
SCHEMBL7609068 0.85 BCHE (0.62) BCHERAB9ASMN1; SMN2HPGDNPC1
SCHEMBL7622379 0.84 MAPT (0.43) BCHEHPGDKMT2AMAPTTP53
SCHEMBL7608561 0.84 MAPT (0.44) BCHESMN1; SMN2HPGDKMT2AMAPT
SCHEMBL7614275 0.83 SMN1; SMN2 (0.52) BCHERAB9ASMN1; SMN2NPC1KMT2A
SCHEMBL7610127 0.83 IMPDH2 (0.51) BCHERAB9ASMN1; SMN2HPGDNPC1

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