SCHEMBL4719805

SCHEMBL4719805

O=c1[nH]c2c(O)ccc(C(O)C(O)NCCc3cccc(CNCc4ccccn4)c3)c2s1

nearest known ligand 0.79

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 20/20 0.79
ADRA1D P25100 17/20 0.79
ADRB1 P08588 17/20 0.79
DRD2 P14416 14/20 0.79
DRD3 P35462 1/20 0.53

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
SCHEMBL4718029 0.96 ADRB2 (0.75) ADRB2ADRA1DADRB1DRD2DRD3
SCHEMBL4717735 0.94 ADRB2 (0.81) ADRB2ADRA1DADRB1DRD2DRD3
SCHEMBL4718733 0.93 ADRB2 (0.80) ADRB2ADRA1DADRB1DRD2
SCHEMBL1803286 0.89 ADRB2 (1.00) ADRB2ADRA1DADRB1DRD2DRD3
SCHEMBL1803289 0.89 ADRB2 (1.00) ADRB2ADRA1DADRB1DRD2DRD3
Hydrochloric Acid SCHEMBL1804008 0.88 ADRB2 (0.98) ADRB2ADRA1DADRB1DRD2DRD3
Hydrochloric Acid SCHEMBL1804012 0.88 ADRB2 (0.98) ADRB2ADRA1DADRB1DRD2DRD3
SCHEMBL4714736 0.87 ADRB2 (0.80) ADRB2ADRA1DADRB1DRD2DRD3
SCHEMBL4712727 0.85 ADRB2 (0.78) ADRB2ADRA1DADRB1DRD2DRD3
SCHEMBL1803290 0.85 ADRB2 (0.72) ADRB2ADRA1DADRB1DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1996566-A1 BEZOTHIAZOL DERIVATIVES AS BETA2 ADRENORECEPTOR AGONISTS AstraZeneca AB (SE) 2008-12-03 EP claimed
WO-2007106016-A1 BEZOTHIAZOL DERIVATIVES AS BETA2 ADRENORECEPTOR AGONISTS ASTRAZENECA AB (SE) 2007-09-20 WO claimed
EP-1996566-A1 BEZOTHIAZOL DERIVATIVES AS BETA2 ADRENORECEPTOR AGONISTS AstraZeneca AB (SE) 2008-12-03 EP disclosed
WO-2007106016-A1 BEZOTHIAZOL DERIVATIVES AS BETA2 ADRENORECEPTOR AGONISTS ASTRAZENECA AB (SE) 2007-09-20 WO disclosed