SCHEMBL7616769

SCHEMBL7616769

COc1ccc(NC(=O)C=Cc2ccc(Cl)cc2)cc1OCCN(C(C)C)C1CCCCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.55
MCHR1 Q99705 3/20 0.47
MAPT P10636 4/20 0.46
TP53 P04637 3/20 0.46
TRPV1 Q8NER1 2/20 0.46
BCHE P06276 2/20 0.46
ACHE P22303 2/20 0.46
MEN1 O00255 3/20 0.46
ALDH1A1 P00352 3/20 0.46
KMT2A Q03164 3/20 0.46
CYP3A4 P08684 2/20 0.46
TSHR P16473 2/20 0.46
MAPK1 P28482 2/20 0.46
CYP2C19 P33261 2/20 0.46
LMNA P02545 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ABCG2 Q9UNQ0 1/20 0.46
IMPDH2 P12268 1/20 0.46
CYP2D6 P10635 1/20 0.46
PKM P14618 1/20 0.46

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
SCHEMBL7616765 1.00 SLC2A1 (0.55) SLC2A1MCHR1MAPTTP53TRPV1
SCHEMBL7610666 0.91 SLC2A1 (0.51) SLC2A1MCHR1MAPTTP53BCHE
SCHEMBL7610671 0.91 SLC2A1 (0.51) SLC2A1MCHR1MAPTTP53BCHE
SCHEMBL7607752 0.90 SLC2A1 (0.51) SLC2A1MCHR1MAPTTP53TRPV1
SCHEMBL7607757 0.90 SLC2A1 (0.51) SLC2A1MCHR1MAPTTP53TRPV1
SCHEMBL7614369 0.90 SLC2A1 (0.53) SLC2A1MCHR1MAPTTRPV1BCHE
SCHEMBL7614377 0.90 SLC2A1 (0.53) SLC2A1MCHR1MAPTTRPV1BCHE
SCHEMBL7612953 0.88 SLC2A1 (0.55) SLC2A1BCHEACHE
SCHEMBL7612951 0.88 SLC2A1 (0.55) SLC2A1BCHEACHE
SCHEMBL7614302 0.87 SLC2A1 (0.49) SLC2A1MCHR1MAPTTRPV1BCHE

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