SCHEMBL4719215

SCHEMBL4719215

O=c1[nH]c2c(O)ccc(C(O)C(O)NCCc3cccc(CNCC(c4ccccc4)c4ccccc4)c3)c2s1

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 20/20 0.64
ADRB1 P08588 19/20 0.64
ADRA1D P25100 17/20 0.64
DRD2 P14416 15/20 0.64
DRD3 P35462 1/20 0.58

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
SCHEMBL4714976 0.89 ADRB2 (0.78) ADRB2ADRB1ADRA1DDRD2DRD3
SCHEMBL1803465 0.89 ADRB2 (0.81) ADRB2ADRB1ADRA1DDRD2DRD3
SCHEMBL1803462 0.89 ADRB2 (0.81) ADRB2ADRB1ADRA1DDRD2DRD3
SCHEMBL4712727 0.88 ADRB2 (0.78) ADRB2ADRB1ADRA1DDRD2DRD3
SCHEMBL4712124 0.86 ADRB2 (0.69) ADRB2ADRB1ADRA1DDRD2
SCHEMBL4790520 0.85 ADRB2 (0.79) ADRB2ADRB1ADRA1DDRD2
SCHEMBL4716873 0.85 ADRB2 (0.79) ADRB2ADRB1ADRA1DDRD2
SCHEMBL4720992 0.84 ADRB2 (0.79) ADRB2ADRB1ADRA1DDRD2DRD3
SCHEMBL1803468 0.84 ADRB2 (0.60) ADRB2ADRB1ADRA1DDRD2DRD3
SCHEMBL4719317 0.84 ADRB2 (0.80) 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 claimed
WO-2007106016-A1 BEZOTHIAZOL DERIVATIVES AS BETA2 ADRENORECEPTOR AGONISTS ASTRAZENECA AB (SE) 2007-09-20 WO claimed