SCHEMBL4717642

SCHEMBL4717642

O=c1[nH]c2c(O)ccc(C(O)C(O)NCCc3cccc(CCNC4CCCCC4)c3)c2s1

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 20/20 0.60
ADRB1 P08588 19/20 0.60
DRD3 P35462 4/20 0.54
DRD2 P14416 6/20 0.54
ADRA1D P25100 6/20 0.54

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
SCHEMBL1799656 0.87 ADRB2 (0.73) ADRB2ADRB1DRD3DRD2ADRA1D
SCHEMBL1799655 0.87 ADRB2 (0.73) ADRB2ADRB1DRD3DRD2ADRA1D
Hydrochloric Acid SCHEMBL1801633 0.86 ADRB2 (0.72) ADRB2ADRB1DRD3DRD2ADRA1D
Hydrochloric Acid SCHEMBL1801631 0.86 ADRB2 (0.72) ADRB2ADRB1DRD3DRD2ADRA1D
SCHEMBL4761786 0.84 ADRB2 (0.65) ADRB2ADRB1DRD3DRD2ADRA1D
SCHEMBL4761541 0.84 ADRB2 (0.75) ADRB2ADRB1DRD3DRD2ADRA1D
SCHEMBL1799659 0.84 ADRB2 (0.53) ADRB2ADRB1DRD3DRD2ADRA1D
SCHEMBL4759233 0.84 ADRB2 (0.75) ADRB2ADRB1DRD3DRD2ADRA1D
Hydrochloric Acid SCHEMBL1801635 0.83 ADRB2 (0.52) ADRB2ADRB1DRD3DRD2ADRA1D
SCHEMBL4762350 0.83 ADRB2 (0.77) 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 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