SCHEMBL4712722

SCHEMBL4712722

O=c1[nH]c2c(O)ccc(CC(O)(O)NCCc3cccc(-c4cccc(CNCc5ccccc5)c4)c3)c2s1

nearest known ligand 0.77

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 20/20 0.77
ADRB1 P08588 9/20 0.50
DRD2 P14416 9/20 0.50
ADRA1D P25100 9/20 0.50

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
SCHEMBL4714962 0.89 ADRB2 (0.64) ADRB2ADRB1DRD2ADRA1D
SCHEMBL4719210 0.87 ADRB2 (0.59) ADRB2ADRB1DRD2ADRA1D
SCHEMBL4790519 0.87 ADRB2 (0.67) ADRB2ADRB1DRD2ADRA1D
SCHEMBL4716866 0.87 ADRB2 (0.67) ADRB2ADRB1DRD2ADRA1D
SCHEMBL4712118 0.87 ADRB2 (0.63) ADRB2ADRB1DRD2ADRA1D
Hydrochloric Acid SCHEMBL4790456 0.86 ADRB2 (0.62) ADRB2ADRB1DRD2ADRA1D
SCHEMBL4719792 0.86 ADRB2 (0.66) ADRB2ADRB1DRD2ADRA1D
Hydrochloric Acid SCHEMBL4715377 0.86 ADRB2 (0.65) ADRB2ADRB1DRD2ADRA1D
SCHEMBL4719305 0.85 ADRB2 (0.65) ADRB2ADRB1DRD2ADRA1D
SCHEMBL4557988 0.85 ADRB2 (0.68) ADRB2ADRB1DRD2ADRA1D

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