SCHEMBL14423748

SCHEMBL14423748

NCc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1

nearest known ligand 0.82

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 20/20 0.82
ADRB1 P08588 19/20 0.82
DRD3 P35462 3/20 0.82
DRD2 P14416 14/20 0.74
ADRA1D P25100 14/20 0.74

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
SCHEMBL14423678 0.94 ADRB2 (0.82) ADRB2ADRB1DRD3DRD2ADRA1D
SCHEMBL12619839 0.92 ADRB2 (0.81) ADRB2ADRB1DRD3DRD2ADRA1D
Hydrochloric Acid SCHEMBL3834258 0.89 ADRB2 (0.98) ADRB2ADRB1DRD3DRD2ADRA1D
SCHEMBL12619844 0.88 ADRB2 (0.82) ADRB2ADRB1DRD3DRD2ADRA1D
SCHEMBL12619790 0.87 ADRB2 (0.80) ADRB2ADRB1DRD3DRD2ADRA1D
SCHEMBL1801828 0.87 ADRB2 (0.92) ADRB2ADRB1DRD3DRD2ADRA1D
Hydrochloric Acid SCHEMBL1799898 0.87 ADRB2 (0.79) ADRB2ADRB1DRD3DRD2ADRA1D
SCHEMBL1801825 0.87 ADRB2 (0.92) ADRB2ADRB1DRD3DRD2ADRA1D
SCHEMBL1803538 0.85 ADRB2 (1.00) ADRB2ADRB1DRD3DRD2ADRA1D
SCHEMBL1801823 0.85 ADRB2 (0.92) ADRB2ADRB1DRD3DRD2ADRA1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007106016-A1 BEZOTHIAZOL DERIVATIVES AS BETA2 ADRENORECEPTOR AGONISTS ASTRAZENECA AB (SE) 2007-09-20 WO disclosed