SCHEMBL4716763

SCHEMBL4716763

COC(C)(C)CNCc1cccc(CCNC(O)(O)Cc2ccc(O)c3[nH]c(=O)sc23)c1

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 20/20 0.57
ADRB1 P08588 14/20 0.53
ADRA1D P25100 13/20 0.53
DRD2 P14416 12/20 0.53
DRD3 P35462 1/20 0.48

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
Hydrochloric Acid SCHEMBL4717816 0.99 ADRB2 (0.56) ADRB2ADRB1ADRA1DDRD2DRD3
SCHEMBL4720986 0.89 ADRB2 (0.65) ADRB2ADRB1ADRA1DDRD2
SCHEMBL4719305 0.88 ADRB2 (0.65) ADRB2ADRB1ADRA1DDRD2DRD3
SCHEMBL4716727 0.87 ADRB2 (0.60) ADRB2ADRB1ADRA1DDRD2DRD3
Hydrochloric Acid SCHEMBL4715377 0.87 ADRB2 (0.65) ADRB2ADRB1ADRA1DDRD2
SCHEMBL1803443 0.87 ADRB2 (0.57) ADRB2ADRB1ADRA1DDRD2DRD3
SCHEMBL4712118 0.86 ADRB2 (0.63) ADRB2ADRB1ADRA1DDRD2
SCHEMBL4557988 0.86 ADRB2 (0.68) ADRB2ADRB1ADRA1DDRD2
Hydrochloric Acid SCHEMBL1801168 0.86 ADRB2 (0.57) ADRB2ADRB1ADRA1DDRD2DRD3
Hydrochloric Acid SCHEMBL4790456 0.86 ADRB2 (0.62) 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 disclosed
WO-2007106016-A1 BEZOTHIAZOL DERIVATIVES AS BETA2 ADRENORECEPTOR AGONISTS ASTRAZENECA AB (SE) 2007-09-20 WO disclosed