SCHEMBL4718496

SCHEMBL4718496

NC(O)C(O)c1ccc(O)c2[nH]c(=O)sc12

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 19/20 0.59
ADRB1 P08588 19/20 0.59
DRD3 P35462 2/20 0.48
DRD2 P14416 1/20 0.46
ADRA1D P25100 1/20 0.46

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
Hydrochloric Acid SCHEMBL4558295 0.98 ADRB2 (0.58) ADRB2ADRB1DRD3DRD2ADRA1D
SCHEMBL1803584 0.82 ADRB2 (0.71) ADRB2ADRB1DRD3DRD2ADRA1D
SCHEMBL1803582 0.82 ADRB2 (0.71) ADRB2ADRB1DRD3DRD2ADRA1D
SCHEMBL19043558 0.81 ADRB2 (0.66) ADRB2ADRB1DRD3
SCHEMBL27809795 0.81 ADRB2 (0.62) ADRB2ADRB1DRD3DRD2ADRA1D
SCHEMBL27830246 0.81 ADRB2 (0.62) ADRB2ADRB1DRD3DRD2ADRA1D
SCHEMBL13982170 0.81 ADRB2 (0.66) ADRB2ADRB1DRD3
Hydrochloric Acid SCHEMBL1796166 0.81 ADRB2 (0.69) ADRB2ADRB1DRD3DRD2ADRA1D
Hydrochloric Acid SCHEMBL1180240 0.81 ADRB2 (0.69) ADRB2ADRB1DRD3DRD2ADRA1D
SCHEMBL10215353 0.80 ADRB2 (0.63) ADRB2ADRB1DRD3

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