SCHEMBL7655078

SCHEMBL7655078

COc1ccc(NC(=O)/C=C/c2ccc(F)cc2)cc1OCCN(C(C)C)C(C)C

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.73
NPC1 O15118 1/20 0.54
LMNA P02545 1/20 0.54
RAB9A P51151 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
TRPV1 Q8NER1 1/20 0.53
BCHE P06276 5/20 0.52
ACHE P22303 4/20 0.52
POLB P06746 1/20 0.52
GAA P10253 1/20 0.52
IMPDH2 P12268 1/20 0.52
MCHR1 Q99705 5/20 0.51
HTR2C P28335 1/20 0.51
HDAC1 Q13547 3/20 0.50
HDAC3 O15379 2/20 0.49
HDAC4 P56524 2/20 0.49
HDAC7 Q8WUI4 2/20 0.49
HDAC2 Q92769 2/20 0.49
HDAC10 Q969S8 2/20 0.49
HDAC11 Q96DB2 2/20 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
SCHEMBL7655086 1.00 SLC2A1 (0.73) SLC2A1NPC1LMNARAB9ASMN1; SMN2
SCHEMBL7606654 0.93 SLC2A1 (0.68) SLC2A1TRPV1BCHEACHEPOLB
SCHEMBL7606657 0.93 SLC2A1 (0.68) SLC2A1TRPV1BCHEACHEPOLB
SCHEMBL7616324 0.91 SLC2A1 (0.68) SLC2A1TRPV1BCHEACHEPOLB
SCHEMBL7607742 0.91 SLC2A1 (0.68) SLC2A1TRPV1BCHEACHEPOLB
SCHEMBL7618033 0.90 SLC2A1 (0.73) SLC2A1TRPV1BCHEACHEPOLB
SCHEMBL7651286 0.90 SLC2A1 (0.73) SLC2A1TRPV1BCHEACHEPOLB
SCHEMBL7605747 0.90 SLC2A1 (0.73) SLC2A1TRPV1BCHEACHEPOLB
SCHEMBL7615429 0.90 SLC2A1 (0.73) SLC2A1NPC1LMNARAB9ASMN1; SMN2
SCHEMBL7615423 0.90 SLC2A1 (0.73) SLC2A1NPC1LMNARAB9ASMN1; SMN2

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