SCHEMBL4596271

SCHEMBL4596271

O=c1[nH]c2c(O)ccc([C@@H](O)CNCCSCCC[CH]Cc3cccc(C(F)(F)F)c3)c2s1

nearest known ligand 0.78

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 20/20 0.78
ADRB1 P08588 20/20 0.78
DRD2 P14416 12/20 0.78
DRD3 P35462 2/20 0.54
ADRA1D P25100 2/20 0.53

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
SCHEMBL4526560 0.88 ADRB2 (1.00) ADRB2ADRB1DRD2DRD3ADRA1D
SCHEMBL4514497 0.84 ADRB2 (0.79) ADRB2ADRB1DRD2DRD3ADRA1D
SCHEMBL4514502 0.84 ADRB2 (0.79) ADRB2ADRB1DRD2DRD3ADRA1D
SCHEMBL4596275 0.83 ADRB2 (0.73) ADRB2ADRB1DRD2DRD3
SCHEMBL13711697 0.80 ADRB2 (0.72) ADRB2ADRB1DRD2DRD3ADRA1D
SCHEMBL4518404 0.77 ADRB2 (1.00) ADRB2ADRB1DRD2DRD3ADRA1D
Hydrochloric Acid SCHEMBL4514960 0.76 ADRB2 (0.98) ADRB2ADRB1DRD2DRD3ADRA1D
SCHEMBL4521381 0.76 ADRB2 (1.00) ADRB2ADRB1DRD2DRD3ADRA1D
SCHEMBL4529805 0.76 ADRB2 (1.00) ADRB2ADRB1DRD2DRD3ADRA1D
SCHEMBL4519610 0.76 ADRB2 (0.73) ADRB2ADRB1DRD2ADRA1D

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-1937656-A1 7-(2-AMINO-1-HYDROXY-ETHYL)-4-HYDROXYBENZOTHIAZOL-2(3H)-ONE-DERIVATIVES AS BETA 2 ADRENOCEPTOR AGONISTS AstraZeneca AB (SE) 2008-07-02 EP disclosed
WO-2007027134-A1 7-(2-AMINO-1-HYDROXY-ETHYL)-4-HYDROXYBENZOTHIAZOL-2(3H)-ONE-DERIVATIVES AS β2 ADRENOCEPTOR AGONISTS ASTRAZENECA AB (SE) 2007-03-08 WO disclosed