SCHEMBL4717638

SCHEMBL4717638

O=c1[nH]c2c(O)ccc(CC(O)(O)NCCc3cccc(CCNC4CCCCC4)c3)c2s1

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 19/20 0.50
ADRB1 P08588 11/20 0.48
DRD2 P14416 5/20 0.44
ADRA1D P25100 5/20 0.44
DRD3 P35462 2/20 0.43

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
SCHEMBL1799659 0.85 ADRB2 (0.53) ADRB2ADRB1DRD2ADRA1DDRD3
Hydrochloric Acid SCHEMBL1801635 0.84 ADRB2 (0.52) ADRB2ADRB1DRD2ADRA1DDRD3
SCHEMBL4759227 0.84 ADRB2 (0.62) ADRB2ADRB1DRD2ADRA1DDRD3
SCHEMBL4761537 0.84 ADRB2 (0.62) ADRB2ADRB1DRD2ADRA1DDRD3
SCHEMBL4761782 0.84 ADRB2 (0.53) ADRB2ADRB1DRD2ADRA1DDRD3
Hydrochloric Acid SCHEMBL4761536 0.84 ADRB2 (0.53) ADRB2ADRB1DRD2ADRA1DDRD3
SCHEMBL4762333 0.83 ADRB2 (0.63) ADRB2ADRB1DRD2ADRA1DDRD3
Hydrochloric Acid SCHEMBL4760837 0.83 ADRB2 (0.62) ADRB2ADRB1DRD2ADRA1DDRD3
SCHEMBL4717634 0.81 ADRB2 (0.48) ADRB2ADRB1DRD2ADRA1DDRD3
SCHEMBL4762301 0.80 ADRB2 (0.59) ADRB2ADRB1DRD2ADRA1DDRD3

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