SCHEMBL4719787

SCHEMBL4719787

O=c1[nH]c2c(O)ccc(C(O)(O)CNCCc3cccc(CNCc4ccccn4)c3)c2s1

nearest known ligand 0.69

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 20/20 0.69
ADRA1D P25100 16/20 0.69
ADRB1 P08588 15/20 0.69
DRD2 P14416 14/20 0.69

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
SCHEMBL4718020 0.97 ADRB2 (0.64) ADRB2ADRA1DADRB1DRD2
SCHEMBL4717721 0.95 ADRB2 (0.69) ADRB2ADRA1DADRB1DRD2
SCHEMBL4718721 0.93 ADRB2 (0.71) ADRB2ADRA1DADRB1DRD2
SCHEMBL4714723 0.87 ADRB2 (0.73) ADRB2ADRA1DADRB1DRD2
SCHEMBL4712721 0.85 ADRB2 (0.73) ADRB2ADRA1DADRB1DRD2
SCHEMBL4714954 0.85 ADRB2 (0.68) ADRB2ADRA1DADRB1DRD2
SCHEMBL4712112 0.85 ADRB2 (0.59) ADRB2ADRA1DADRB1DRD2
SCHEMBL4716861 0.84 ADRB2 (0.69) ADRB2ADRA1DADRB1DRD2
SCHEMBL4790517 0.84 ADRB2 (0.69) ADRB2ADRA1DADRB1DRD2
Hydrochloric Acid SCHEMBL4790455 0.84 ADRB2 (0.59) 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