SCHEMBL4719702

SCHEMBL4719702

O=c1[nH]c2c(O)ccc(C(O)C(O)NCCc3ccccc3CNCCc3ccccc3F)c2s1

nearest known ligand 0.79

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 20/20 0.79
ADRB1 P08588 19/20 0.79
DRD2 P14416 16/20 0.79
ADRA1D P25100 15/20 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
SCHEMBL4718982 0.89 ADRB2 (0.73) ADRB2ADRB1DRD2ADRA1D
SCHEMBL1803041 0.88 ADRB2 (1.00) ADRB2ADRB1DRD2ADRA1D
SCHEMBL1803044 0.88 ADRB2 (1.00) ADRB2ADRB1DRD2ADRA1D
SCHEMBL4790520 0.85 ADRB2 (0.79) ADRB2ADRB1DRD2ADRA1D
SCHEMBL1803046 0.84 ADRB2 (0.71) ADRB2ADRB1DRD2ADRA1D
SCHEMBL4712124 0.81 ADRB2 (0.69) ADRB2ADRB1DRD2ADRA1D
SCHEMBL1803823 0.80 ADRB2 (1.00) ADRB2ADRB1DRD2ADRA1D
SCHEMBL1803825 0.80 ADRB2 (1.00) ADRB2ADRB1DRD2ADRA1D
SCHEMBL4714831 0.79 ADRB2 (0.81) ADRB2ADRB1DRD2ADRA1D
SCHEMBL4719693 0.79 ADRB2 (0.66) 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-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