SCHEMBL7609690

SCHEMBL7609690

CCCN(CCC)CCOc1cc(NC(=O)C=Cc2cccc(F)c2)ccc1OC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 11/20 0.58
ACHE P22303 10/20 0.58
SMN1; SMN2 Q16637 2/20 0.57
NPC1 O15118 1/20 0.57
LMNA P02545 1/20 0.57
RAB9A P51151 1/20 0.57
KMT2A Q03164 1/20 0.57
HDAC3 O15379 4/20 0.54
HDAC4 P56524 4/20 0.54
HDAC1 Q13547 4/20 0.54
HDAC7 Q8WUI4 4/20 0.54
HDAC2 Q92769 4/20 0.54
HDAC10 Q969S8 4/20 0.54
HDAC11 Q96DB2 4/20 0.54
HDAC8 Q9BY41 4/20 0.54
HDAC6 Q9UBN7 4/20 0.54
HDAC9 Q9UKV0 4/20 0.54
HDAC5 Q9UQL6 4/20 0.54
IMPDH2 P12268 1/20 0.54
SLC2A1 P11166 1/20 0.51

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
SCHEMBL7606658 0.92 BCHE (0.55) BCHEACHESMN1; SMN2NPC1LMNA
SCHEMBL7681881 0.90 BCHE (0.58) BCHEACHESMN1; SMN2NPC1LMNA
SCHEMBL7613677 0.90 BCHE (0.65) BCHEACHESMN1; SMN2NPC1RAB9A
SCHEMBL7619509 0.89 BCHE (0.58) BCHEACHESMN1; SMN2NPC1LMNA
SCHEMBL7613721 0.89 MEN1 (0.59) BCHEACHELMNAKMT2AHDAC3
SCHEMBL7616332 0.88 BCHE (0.58) BCHEACHEKMT2AHDAC3HDAC4
SCHEMBL7609687 0.87 SLC2A1 (0.67) BCHEACHESMN1; SMN2NPC1LMNA
SCHEMBL7609682 0.87 SLC2A1 (0.67) BCHEACHESMN1; SMN2NPC1LMNA
SCHEMBL7606789 0.87 BCHE (0.52) BCHEACHESLC2A1
SCHEMBL7612385 0.86 BCHE (0.49) BCHEACHESMN1; SMN2NPC1LMNA

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