SCHEMBL5532802

SCHEMBL5532802

O=c1[nH]c2c(O)ccc(CC(O)NCCc3ccc(OCCCCc4ccccc4)cc3)c2s1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 19/20 0.57
ADRB1 P08588 9/20 0.57
DRD3 P35462 2/20 0.57
DRD2 P14416 3/20 0.49
ABCB11 O95342 1/20 0.49
PDE4A P27815 1/20 0.49
ADRA1D P25100 1/20 0.49

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
SCHEMBL5709158 0.84 ADRB2 (0.46) ADRB2ADRB1DRD3DRD2ABCB11
SCHEMBL1800394 0.81 ADRB2 (0.70) ADRB2ADRB1DRD3DRD2ADRA1D
SCHEMBL3834974 0.81 ADRB2 (0.82) ADRB2ADRB1DRD3DRD2ADRA1D
Hydrochloric Acid SCHEMBL6181224 0.80 ADRB2 (0.62) ADRB2ADRB1DRD3DRD2ADRA1D
SCHEMBL1799411 0.79 ADRB2 (0.60) ADRB2ADRB1DRD2ADRA1D
SCHEMBL1804802 0.79 ADRB2 (0.67) ADRB2ADRB1DRD2ADRA1D
SCHEMBL1803827 0.78 ADRB2 (0.81) ADRB2ADRB1DRD2ADRA1D
SCHEMBL1797660 0.78 ADRB2 (0.51) ADRB2ADRB1DRD3DRD2ADRA1D
SCHEMBL1801359 0.78 ADRB2 (0.71) ADRB2ADRB1DRD3DRD2ADRA1D
SCHEMBL1801926 0.77 ADRB2 (0.55) ADRB2ADRB1DRD3DRD2ADRA1D

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2007538036-A 2007-12-27 JP claimed
EP-1755590-A1 COMBINATIONS OF GLYCOPYRROLATE AND BETA2 ADRENOCEPTOR AGONISTS Novartis AG (CH) 2007-02-28 EP claimed
EP-1715860-A1 COMBINATION OF BENZOTHIAZOL-2-ONE BETA2 ADRENOCEPTOR AGONISTS AND CORTICOSTEROIDS FOR THE TREATMENT OF RESPIRATORY DISEASES Novartis AG (CH) 2006-11-02 EP claimed
WO-2005110402-A1 COMBINATIONS OF GLYCOPYRROLATE AND BETA2 ADRENOCEPTOR AGONISTS NOVARTIS AG (CH) 2005-11-24 WO claimed
WO-2005074924-A1 COMBINATION OF BENZOTHIAZOL-2-ONE BETA2 ADRENOCEPTOR AGONISTS AND CORTICOSTEROIDS FOR THE TREATMENT OF RESPIRATORY DISEASES NOVARTIS AG (CH) 2005-08-18 WO claimed
EP-1755590-A1 COMBINATIONS OF GLYCOPYRROLATE AND BETA2 ADRENOCEPTOR AGONISTS Novartis AG (CH) 2007-02-28 EP disclosed
WO-2005110402-A1 COMBINATIONS OF GLYCOPYRROLATE AND BETA2 ADRENOCEPTOR AGONISTS NOVARTIS AG (CH) 2005-11-24 WO disclosed