SCHEMBL4716965

SCHEMBL4716965

COc1ccccc1CNCc1ccc(CCNC(O)C(O)c2ccc(O)c3[nH]c(=O)sc23)cc1

nearest known ligand 0.79

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 20/20 0.79
ADRB1 P08588 18/20 0.79
ADRA1D P25100 17/20 0.79
DRD2 P14416 15/20 0.79
DRD3 P35462 1/20 0.51

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
SCHEMBL4714831 0.94 ADRB2 (0.81) ADRB2ADRB1ADRA1DDRD2
SCHEMBL4557989 0.93 ADRB2 (0.80) ADRB2ADRB1ADRA1DDRD2DRD3
SCHEMBL4714223 0.90 ADRB2 (0.81) ADRB2ADRB1ADRA1DDRD2DRD3
SCHEMBL1801962 0.88 ADRB2 (1.00) ADRB2ADRB1ADRA1DDRD2DRD3
SCHEMBL1801961 0.88 ADRB2 (1.00) ADRB2ADRB1ADRA1DDRD2DRD3
Hydrochloric Acid SCHEMBL1800615 0.88 ADRB2 (0.98) ADRB2ADRB1ADRA1DDRD2DRD3
Hydrochloric Acid SCHEMBL1800618 0.88 ADRB2 (0.98) ADRB2ADRB1ADRA1DDRD2DRD3
SCHEMBL4789947 0.86 ADRB2 (0.75) ADRB2ADRB1ADRA1DDRD2DRD3
SCHEMBL1801963 0.86 ADRB2 (0.72) ADRB2ADRB1ADRA1DDRD2
Hydrochloric Acid SCHEMBL1800620 0.85 ADRB2 (0.71) ADRB2ADRB1ADRA1DDRD2

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