SCHEMBL4761541

SCHEMBL4761541

O=c1[nH]c2c(O)ccc(C(O)C(O)NCCc3cccc(CN4CCCCCC4)c3)c2s1

nearest known ligand 0.75

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 20/20 0.75
ADRB1 P08588 15/20 0.75
DRD2 P14416 10/20 0.75
ADRA1D P25100 10/20 0.75
DRD3 P35462 3/20 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
SCHEMBL4759233 1.00 ADRB2 (0.75) ADRB2ADRB1DRD2ADRA1DDRD3
SCHEMBL4762350 0.99 ADRB2 (0.77) ADRB2ADRB1DRD2ADRA1DDRD3
SCHEMBL4761786 0.93 ADRB2 (0.65) ADRB2ADRB1DRD2ADRA1DDRD3
SCHEMBL4762315 0.92 ADRB2 (0.67) ADRB2ADRB1DRD2ADRA1DDRD3
SCHEMBL4715017 0.91 ADRB2 (0.66) ADRB2ADRB1DRD2ADRA1DDRD3
SCHEMBL4761863 0.88 ADRB2 (0.79) ADRB2ADRB1DRD2ADRA1DDRD3
SCHEMBL1803597 0.87 ADRB2 (0.98) ADRB2ADRB1DRD2ADRA1DDRD3
SCHEMBL1800508 0.87 ADRB2 (0.98) ADRB2ADRB1DRD2ADRA1DDRD3
SCHEMBL1803600 0.87 ADRB2 (0.98) ADRB2ADRB1DRD2ADRA1DDRD3
SCHEMBL1800511 0.87 ADRB2 (0.98) ADRB2ADRB1DRD2ADRA1DDRD3

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-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