SCHEMBL3886063

SCHEMBL3886063

O=c1[nH]c2c(O)ccc(C(O)CN(CCOCCc3ccccc3)C3CCNCC3)c2s1

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 20/20 0.61
ADRB1 P08588 17/20 0.61
DRD2 P14416 4/20 0.61
DRD3 P35462 2/20 0.51
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
SCHEMBL3886067 0.81 ADRB2 (0.50) ADRB2ADRB1DRD2
SCHEMBL4134772 0.76 ADRB2 (0.64) ADRB2ADRB1DRD2DRD3ADRA1D
SCHEMBL3890894 0.76 ADRB2 (0.64) ADRB2ADRB1DRD2DRD3ADRA1D
SCHEMBL4526989 0.76 ADRB2 (1.00) ADRB2ADRB1DRD2DRD3ADRA1D
SCHEMBL4218708 0.75 ADRB2 (0.95) ADRB2ADRB1DRD2DRD3ADRA1D
SCHEMBL3958110 0.74 ADRB2 (0.70) ADRB2ADRB1DRD2DRD3ADRA1D
SCHEMBL4135992 0.74 ADRB2 (0.70) ADRB2ADRB1DRD2DRD3ADRA1D
SCHEMBL4138687 0.73 ADRB2 (0.72) ADRB2ADRB1DRD2DRD3ADRA1D
SCHEMBL3954768 0.73 ADRB2 (0.70) ADRB2ADRB1DRD2DRD3ADRA1D
SCHEMBL3583527 0.73 ADRB2 (0.74) ADRB2ADRB1DRD2

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-2013197-A1 PHENETHANOLAMINE DERIVATIVES AS BETA2 ADRENORECEPTOR AGONISTS AstraZeneca AB (SE) 2009-01-14 EP disclosed
WO-2007102771-A1 PHENETHANOLAMINE DERIVATIVES AS BETA2 ADRENORECEPTOR AGONISTS ASTRAZENECA AB (SE) 2007-09-13 WO disclosed