SCHEMBL4716731

SCHEMBL4716731

COCCNCCc1cccc(CCNC(O)C(O)c2ccc(O)c3[nH]c(=O)sc23)c1

nearest known ligand 0.73

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 20/20 0.73
ADRB1 P08588 19/20 0.73
ADRA1D P25100 12/20 0.73
DRD2 P14416 11/20 0.73
DRD3 P35462 3/20 0.62

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
SCHEMBL4720992 0.95 ADRB2 (0.79) ADRB2ADRB1ADRA1DDRD2DRD3
SCHEMBL1801828 0.88 ADRB2 (0.92) ADRB2ADRB1ADRA1DDRD2DRD3
SCHEMBL1801825 0.88 ADRB2 (0.92) ADRB2ADRB1ADRA1DDRD2DRD3
SCHEMBL4761301 0.88 ADRB2 (0.63) ADRB2ADRB1ADRA1DDRD2DRD3
SCHEMBL4789947 0.87 ADRB2 (0.75) ADRB2ADRB1ADRA1DDRD2DRD3
SCHEMBL4716766 0.86 ADRB2 (0.65) ADRB2ADRB1ADRA1DDRD2DRD3
SCHEMBL4719317 0.86 ADRB2 (0.80) ADRB2ADRB1ADRA1DDRD2DRD3
SCHEMBL4714223 0.85 ADRB2 (0.81) ADRB2ADRB1ADRA1DDRD2DRD3
SCHEMBL4718982 0.84 ADRB2 (0.73) ADRB2ADRB1ADRA1DDRD2DRD3
SCHEMBL1799536 0.84 ADRB2 (1.00) ADRB2ADRB1ADRA1DDRD2DRD3

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