SCHEMBL4716943

SCHEMBL4716943

CCCOCCCNCc1cccc(CCNC(O)C(O)c2ccc(O)c3[nH]c(=O)sc23)c1

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 20/20 0.61
ADRB1 P08588 20/20 0.61
DRD2 P14416 14/20 0.61
ADRA1D P25100 14/20 0.61
DRD3 P35462 3/20 0.59

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
SCHEMBL4712200 0.90 ADRB2 (0.63) ADRB2ADRB1DRD2ADRA1DDRD3
SCHEMBL1798082 0.89 ADRB2 (0.78) ADRB2ADRB1DRD2ADRA1DDRD3
SCHEMBL1798081 0.89 ADRB2 (0.78) ADRB2ADRB1DRD2ADRA1DDRD3
Hydrochloric Acid SCHEMBL1802634 0.88 ADRB2 (0.77) ADRB2ADRB1DRD2ADRA1DDRD3
Hydrochloric Acid SCHEMBL1802631 0.88 ADRB2 (0.77) ADRB2ADRB1DRD2ADRA1DDRD3
SCHEMBL4720992 0.88 ADRB2 (0.79) ADRB2ADRB1DRD2ADRA1DDRD3
SCHEMBL4714976 0.87 ADRB2 (0.78) ADRB2ADRB1DRD2ADRA1DDRD3
SCHEMBL1798085 0.86 ADRB2 (0.55) ADRB2ADRB1DRD2ADRA1DDRD3
Hydrochloric Acid SCHEMBL1802636 0.85 ADRB2 (0.54) ADRB2ADRB1DRD2ADRA1DDRD3
SCHEMBL4719317 0.84 ADRB2 (0.80) ADRB2ADRB1DRD2ADRA1DDRD3

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