SCHEMBL4714976

SCHEMBL4714976

O=c1[nH]c2c(O)ccc(C(O)C(O)NCCc3cccc(CNCCCc4ccccc4)c3)c2s1

nearest known ligand 0.78

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 20/20 0.78
ADRB1 P08588 19/20 0.78
ADRA1D P25100 15/20 0.78
DRD2 P14416 13/20 0.78
DRD3 P35462 1/20 0.59

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
SCHEMBL4718733 0.89 ADRB2 (0.80) ADRB2ADRB1ADRA1DDRD2
SCHEMBL4719215 0.89 ADRB2 (0.64) ADRB2ADRB1ADRA1DDRD2DRD3
SCHEMBL4712124 0.89 ADRB2 (0.69) ADRB2ADRB1ADRA1DDRD2
SCHEMBL4712727 0.89 ADRB2 (0.78) ADRB2ADRB1ADRA1DDRD2DRD3
SCHEMBL4712200 0.88 ADRB2 (0.63) ADRB2ADRB1ADRA1DDRD2DRD3
SCHEMBL1800389 0.88 ADRB2 (1.00) ADRB2ADRB1ADRA1DDRD2DRD3
SCHEMBL1800392 0.88 ADRB2 (1.00) ADRB2ADRB1ADRA1DDRD2DRD3
SCHEMBL4716873 0.87 ADRB2 (0.79) ADRB2ADRB1ADRA1DDRD2
SCHEMBL4720992 0.87 ADRB2 (0.79) ADRB2ADRB1ADRA1DDRD2DRD3
SCHEMBL4716943 0.87 ADRB2 (0.61) 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