SCHEMBL7778754

SCHEMBL7778754

CC(O)c1ccccc1NCCOc1cc2[nH]c3ccccc3c2cc1[AsH2]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 7/20 0.43
DRD2 P14416 3/20 0.41
MAPT P10636 3/20 0.41
KDM4E B2RXH2 3/20 0.41
TLR4 O00206 2/20 0.41
DNM1 Q05193 2/20 0.41
SLC22A2 O15244 1/20 0.41
SLC22A1 O15245 1/20 0.41
MLNR O43193 1/20 0.41
NR1I2 O75469 1/20 0.41
KCNK2 O95069 1/20 0.41
ABCB11 O95342 1/20 0.41
APP P05067 1/20 0.41
ABCB1 P08183 1/20 0.41
ADRB1 P08588 1/20 0.41
HTR1A P08908 1/20 0.41
ADRA2A P08913 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
GAA P10253 1/20 0.41
ADRB3 P13945 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
SCHEMBL7068696 0.89 ADRB2 (0.44) ADRB2DRD2MAPTKDM4ETLR4
SCHEMBL7070293 0.88 ADRB2 (0.43) ADRB2DRD2MAPTKDM4ETLR4
SCHEMBL7069439 0.84 KDM4E (0.42) ADRB2DRD2MAPTKDM4ETLR4
SCHEMBL6905934 0.83 KIF11 (0.42) ADRB2DRD2MAPTKDM4ETLR4
SCHEMBL6912027 0.83 KIF11 (0.42) ADRB2DRD2MAPTKDM4ETLR4
SCHEMBL6912324 0.83 KIF11 (0.42) ADRB2DRD2MAPTKDM4ETLR4
SCHEMBL7778752 0.80 KDM4E (0.38) ADRB2DRD2MAPTKDM4ETLR4
SCHEMBL7072940 0.76 KIF11 (0.35) ADRB2MAPTKDM4EMAPK1KMT2A
SCHEMBL7778751 0.75 ADRB2 (0.49) ADRB2DRD2MAPTKDM4ETLR4
SCHEMBL7983735 0.73 MAPT (0.42) MAPTKDM4EGAAMAPK1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1128845-A1 COMBINATIONS COMPRISING A BETA-AGONIST AND A FURTHER ANTDIABETIC AGENT SMITHKLINE BEECHAM PLC (GB) 2001-09-05 EP disclosed
WO-2000027434-A1 COMBINATIONS COMPRISING A BETA-AGONIST AND A FURTHER ANTIDIABETIC AGENT SMITHKLINE BEECHAM P.L.C. (GB) 2000-05-18 WO disclosed