SCHEMBL4714736

SCHEMBL4714736

O=c1[nH]c2c(O)ccc(C(O)C(O)NCCc3ccc(CNCCc4ccccn4)cc3)c2s1

nearest known ligand 0.80

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 20/20 0.80
ADRA1D P25100 14/20 0.80
DRD2 P14416 12/20 0.80
ADRB1 P08588 16/20 0.69
DRD3 P35462 2/20 0.51

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
SCHEMBL4717735 0.93 ADRB2 (0.81) ADRB2ADRA1DDRD2ADRB1DRD3
SCHEMBL4718029 0.89 ADRB2 (0.75) ADRB2ADRA1DDRD2ADRB1DRD3
SCHEMBL1801325 0.89 ADRB2 (1.00) ADRB2ADRA1DDRD2ADRB1DRD3
SCHEMBL1801323 0.89 ADRB2 (1.00) ADRB2ADRA1DDRD2ADRB1DRD3
SCHEMBL4718733 0.88 ADRB2 (0.80) ADRB2ADRA1DDRD2ADRB1
SCHEMBL4719805 0.87 ADRB2 (0.79) ADRB2ADRA1DDRD2ADRB1DRD3
SCHEMBL1801327 0.85 ADRB2 (0.81) ADRB2ADRA1DDRD2ADRB1
Trifluoroacetic Acid SCHEMBL1799950 0.83 ADRB2 (0.88) ADRB2ADRA1DDRD2ADRB1DRD3
SCHEMBL4714831 0.82 ADRB2 (0.81) ADRB2ADRA1DDRD2ADRB1
SCHEMBL1799101 0.82 ADRB2 (1.00) ADRB2ADRA1DDRD2ADRB1DRD3

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