SCHEMBL4714728

SCHEMBL4714728

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

nearest known ligand 0.79

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 20/20 0.79
ADRA1D P25100 12/20 0.66
DRD2 P14416 10/20 0.66
ADRB1 P08588 12/20 0.57

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
SCHEMBL4717729 0.93 ADRB2 (0.68) ADRB2ADRA1DDRD2ADRB1
SCHEMBL4718022 0.89 ADRB2 (0.63) ADRB2ADRA1DDRD2ADRB1
SCHEMBL4718728 0.88 ADRB2 (0.68) ADRB2ADRA1DDRD2ADRB1
SCHEMBL4719792 0.87 ADRB2 (0.66) ADRB2ADRA1DDRD2ADRB1
SCHEMBL1801327 0.86 ADRB2 (0.81) ADRB2ADRA1DDRD2ADRB1
SCHEMBL4714723 0.83 ADRB2 (0.73) ADRB2ADRA1DDRD2ADRB1
SCHEMBL4714828 0.83 ADRB2 (0.81) ADRB2ADRA1DDRD2ADRB1
SCHEMBL4717902 0.82 ADRB2 (0.56) ADRB2ADRA1DDRD2ADRB1
SCHEMBL4716952 0.80 ADRB2 (0.71) ADRB2ADRA1DDRD2ADRB1
SCHEMBL1801323 0.80 ADRB2 (1.00) ADRB2ADRA1DDRD2ADRB1

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