SCHEMBL4557989

SCHEMBL4557989

COc1ccccc1CNCc1cccc(CCNC(O)C(O)c2ccc(O)c3[nH]c(=O)sc23)c1

nearest known ligand 0.80

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 20/20 0.80
ADRB1 P08588 18/20 0.80
ADRA1D P25100 17/20 0.80
DRD2 P14416 16/20 0.80
DRD3 P35462 1/20 0.54

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
SCHEMBL4714223 0.96 ADRB2 (0.81) ADRB2ADRB1ADRA1DDRD2DRD3
SCHEMBL4716965 0.93 ADRB2 (0.79) ADRB2ADRB1ADRA1DDRD2DRD3
SCHEMBL4789947 0.92 ADRB2 (0.75) ADRB2ADRB1ADRA1DDRD2DRD3
SCHEMBL4719317 0.89 ADRB2 (0.80) ADRB2ADRB1ADRA1DDRD2DRD3
SCHEMBL524582 0.89 ADRB2 (1.00) ADRB2ADRB1ADRA1DDRD2DRD3
SCHEMBL524613 0.89 ADRB2 (1.00) ADRB2ADRB1ADRA1DDRD2DRD3
SCHEMBL4715448 0.88 ADRB2 (0.81) ADRB2ADRB1ADRA1DDRD2DRD3
Hydrochloric Acid SCHEMBL1803276 0.88 ADRB2 (0.98) ADRB2ADRB1ADRA1DDRD2DRD3
Bromide SCHEMBL524485 0.88 ADRB2 (0.98) ADRB2ADRB1ADRA1DDRD2DRD3
Hydrochloric Acid SCHEMBL1803277 0.88 ADRB2 (0.98) ADRB2ADRB1ADRA1DDRD2DRD3

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009037503-A2 NEW COMBINATION - 012 FOR THE TREATMENT OF RESPIRATORY DISEASES ASTRAZENECA AB (SE) 2009-03-26 WO claimed
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
WO-2009037503-A2 NEW COMBINATION - 012 FOR THE TREATMENT OF RESPIRATORY DISEASES ASTRAZENECA AB (SE) 2009-03-26 WO disclosed
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