SCHEMBL4712124

SCHEMBL4712124

O=c1[nH]c2c(O)ccc(C(O)C(O)NCCc3cccc(CNCCc4ccccc4O)c3)c2s1

nearest known ligand 0.69

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 20/20 0.69
ADRB1 P08588 18/20 0.69
ADRA1D P25100 18/20 0.69
DRD2 P14416 16/20 0.69

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
SCHEMBL4716873 0.90 ADRB2 (0.79) ADRB2ADRB1ADRA1DDRD2
SCHEMBL1797740 0.89 ADRB2 (0.86) ADRB2ADRB1ADRA1DDRD2
SCHEMBL1797737 0.89 ADRB2 (0.86) ADRB2ADRB1ADRA1DDRD2
SCHEMBL4714976 0.89 ADRB2 (0.78) ADRB2ADRB1ADRA1DDRD2
SCHEMBL4790520 0.88 ADRB2 (0.79) ADRB2ADRB1ADRA1DDRD2
Hydrochloric Acid SCHEMBL1799820 0.88 ADRB2 (0.84) ADRB2ADRB1ADRA1DDRD2
Hydrochloric Acid SCHEMBL1799822 0.88 ADRB2 (0.84) ADRB2ADRB1ADRA1DDRD2
SCHEMBL4718982 0.88 ADRB2 (0.73) ADRB2ADRB1ADRA1DDRD2
SCHEMBL4714223 0.87 ADRB2 (0.81) ADRB2ADRB1ADRA1DDRD2
SCHEMBL4717735 0.87 ADRB2 (0.81) ADRB2ADRB1ADRA1DDRD2

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