SCHEMBL4718977

SCHEMBL4718977

O=c1[nH]c2c(O)ccc(CC(O)(O)NCCc3cccc(CCNCCc4ccccc4F)c3)c2s1

nearest known ligand 0.66

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 20/20 0.66
ADRB1 P08588 11/20 0.62
ADRA1D P25100 10/20 0.62
DRD2 P14416 9/20 0.62
DRD3 P35462 1/20 0.47

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
SCHEMBL4790519 0.92 ADRB2 (0.67) ADRB2ADRB1ADRA1DDRD2
SCHEMBL4719695 0.89 ADRB2 (0.67) ADRB2ADRB1ADRA1DDRD2
SCHEMBL4712118 0.88 ADRB2 (0.63) ADRB2ADRB1ADRA1DDRD2
SCHEMBL4789945 0.87 ADRB2 (0.68) ADRB2ADRB1ADRA1DDRD2
Hydrochloric Acid SCHEMBL4790456 0.87 ADRB2 (0.62) ADRB2ADRB1ADRA1DDRD2
Hydrochloric Acid SCHEMBL4791663 0.87 ADRB2 (0.67) ADRB2ADRB1ADRA1DDRD2
SCHEMBL1801824 0.85 ADRB2 (0.67) ADRB2ADRB1ADRA1DDRD2DRD3
SCHEMBL4716727 0.85 ADRB2 (0.60) ADRB2ADRB1ADRA1DDRD2DRD3
Hydrochloric Acid SCHEMBL1800527 0.84 ADRB2 (0.66) ADRB2ADRB1ADRA1DDRD2DRD3
SCHEMBL4718973 0.83 ADRB2 (0.62) 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 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