SCHEMBL4716873

SCHEMBL4716873

O=c1[nH]c2c(O)ccc(C(O)C(O)NCCc3cccc(CNCc4ccccc4Cl)c3)c2s1

nearest known ligand 0.79

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 20/20 0.79
ADRB1 P08588 18/20 0.79
ADRA1D P25100 18/20 0.79
DRD2 P14416 17/20 0.79

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
SCHEMBL4790520 0.90 ADRB2 (0.79) ADRB2ADRB1ADRA1DDRD2
SCHEMBL4712124 0.90 ADRB2 (0.69) ADRB2ADRB1ADRA1DDRD2
SCHEMBL1800897 0.88 ADRB2 (1.00) ADRB2ADRB1ADRA1DDRD2
SCHEMBL1800901 0.88 ADRB2 (1.00) ADRB2ADRB1ADRA1DDRD2
SCHEMBL4557989 0.88 ADRB2 (0.80) ADRB2ADRB1ADRA1DDRD2
SCHEMBL4714976 0.87 ADRB2 (0.78) ADRB2ADRB1ADRA1DDRD2
SCHEMBL4712727 0.86 ADRB2 (0.78) ADRB2ADRB1ADRA1DDRD2
SCHEMBL1800903 0.86 ADRB2 (0.72) ADRB2ADRB1ADRA1DDRD2
SCHEMBL4714223 0.85 ADRB2 (0.81) ADRB2ADRB1ADRA1DDRD2
SCHEMBL1801115 0.85 ADRB2 (1.00) 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 disclosed
WO-2007106016-A1 BEZOTHIAZOL DERIVATIVES AS BETA2 ADRENORECEPTOR AGONISTS ASTRAZENECA AB (SE) 2007-09-20 WO disclosed