SCHEMBL4657789

SCHEMBL4657789

CC(C)OCCCNCc1ccccc1-c1ccc(CCNC(O)Cc2ccc(O)c3[nH]c(=O)sc23)cc1

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 19/20 0.59
ADRB1 P08588 12/20 0.46
DRD2 P14416 9/20 0.46
ADRA1D P25100 9/20 0.46
DRD3 P35462 2/20 0.44
ABCB11 O95342 1/20 0.43

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
SCHEMBL1804802 0.88 ADRB2 (0.67) ADRB2ADRB1DRD2ADRA1D
SCHEMBL1801188 0.86 ADRB2 (0.74) ADRB2ADRB1DRD2ADRA1DDRD3
SCHEMBL12619806 0.86 ADRB2 (0.74) ADRB2ADRB1DRD2ADRA1DDRD3
SCHEMBL1801755 0.85 ADRB2 (0.56) ADRB2ADRB1DRD2ADRA1DDRD3
Hydrochloric Acid SCHEMBL1801028 0.85 ADRB2 (0.55) ADRB2ADRB1DRD2ADRA1DDRD3
SCHEMBL1798346 0.83 ADRB2 (0.68) ADRB2ADRB1DRD2ADRA1D
SCHEMBL1801963 0.78 ADRB2 (0.72) ADRB2ADRB1DRD2ADRA1D
Hydrochloric Acid SCHEMBL1800620 0.77 ADRB2 (0.71) ADRB2ADRB1DRD2ADRA1D
SCHEMBL1801048 0.77 ADRB2 (0.82) ADRB2ADRB1DRD2ADRA1D
SCHEMBL1801032 0.77 ADRB2 (0.55) 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 disclosed
WO-2007106016-A1 BEZOTHIAZOL DERIVATIVES AS BETA2 ADRENORECEPTOR AGONISTS ASTRAZENECA AB (SE) 2007-09-20 WO disclosed