SCHEMBL7609682

SCHEMBL7609682

COc1ccc(NC(=O)/C=C/c2cccc(F)c2)cc1OCCN(C(C)C)C(C)C

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.67
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
BCHE P06276 4/20 0.52
ACHE P22303 4/20 0.52

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
SCHEMBL7609687 1.00 SLC2A1 (0.67) SLC2A1SMN1; SMN2NPC1LMNARAB9A
SCHEMBL7606654 0.93 SLC2A1 (0.68) SLC2A1BCHEACHEMCHR1HTR2C
SCHEMBL7606657 0.93 SLC2A1 (0.68) SLC2A1BCHEACHEMCHR1HTR2C
SCHEMBL7655086 0.90 SLC2A1 (0.73) SLC2A1SMN1; SMN2NPC1LMNARAB9A
SCHEMBL7655078 0.90 SLC2A1 (0.73) SLC2A1SMN1; SMN2NPC1LMNARAB9A
SCHEMBL7613669 0.90 SLC2A1 (0.81) SLC2A1SMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL7613674 0.90 SLC2A1 (0.81) SLC2A1SMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL7619501 0.89 SLC2A1 (0.67) SLC2A1SMN1; SMN2NPC1LMNARAB9A
SCHEMBL7614821 0.89 SLC2A1 (0.67) SLC2A1SMN1; SMN2NPC1LMNARAB9A
SCHEMBL7613717 0.89 SLC2A1 (0.64) SLC2A1LMNAKMT2AHDAC3HDAC4

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