SCHEMBL4716935

SCHEMBL4716935

CCCOCCCNCc1cccc(CCNC(O)(O)Cc2ccc(O)c3[nH]c(=O)sc23)c1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 19/20 0.54
ADRB1 P08588 13/20 0.51
DRD2 P14416 8/20 0.51
ADRA1D P25100 7/20 0.51
DRD3 P35462 3/20 0.48
ABCB11 O95342 1/20 0.48
PDE4A P27815 1/20 0.46

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 SCHEMBL4712595 0.99 ADRB2 (0.53) ADRB2ADRB1DRD2ADRA1DDRD3
SCHEMBL4712193 0.89 ADRB2 (0.54) ADRB2ADRB1DRD2ADRA1DDRD3
Hydrochloric Acid SCHEMBL4716646 0.88 ADRB2 (0.53) ADRB2ADRB1DRD2ADRA1DDRD3
SCHEMBL4720986 0.88 ADRB2 (0.65) ADRB2ADRB1DRD2ADRA1D
SCHEMBL4714962 0.87 ADRB2 (0.64) ADRB2ADRB1DRD2ADRA1D
SCHEMBL1798085 0.87 ADRB2 (0.55) ADRB2ADRB1DRD2ADRA1DDRD3
Hydrochloric Acid SCHEMBL1802636 0.86 ADRB2 (0.54) ADRB2ADRB1DRD2ADRA1DDRD3
SCHEMBL4716763 0.84 ADRB2 (0.57) ADRB2ADRB1DRD2ADRA1DDRD3
SCHEMBL4719305 0.84 ADRB2 (0.65) ADRB2ADRB1DRD2ADRA1DDRD3
SCHEMBL4712118 0.84 ADRB2 (0.63) ADRB2ADRB1DRD2ADRA1D

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