SCHEMBL4716759

SCHEMBL4716759

COC(C)(C)CNCc1cccc(CCNCC(O)(O)c2ccc(O)c3[nH]c(=O)sc23)c1

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 20/20 0.55
ADRB1 P08588 17/20 0.55
ADRA1D P25100 15/20 0.55
DRD2 P14416 14/20 0.55
DRD3 P35462 2/20 0.50

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 SCHEMBL4717812 0.99 ADRB2 (0.55) ADRB2ADRB1ADRA1DDRD2DRD3
SCHEMBL4720983 0.90 ADRB2 (0.68) ADRB2ADRB1ADRA1DDRD2DRD3
SCHEMBL4719298 0.90 ADRB2 (0.69) ADRB2ADRB1ADRA1DDRD2DRD3
Hydrochloric Acid SCHEMBL4715374 0.88 ADRB2 (0.68) ADRB2ADRB1ADRA1DDRD2DRD3
SCHEMBL4716723 0.88 ADRB2 (0.61) ADRB2ADRB1ADRA1DDRD2DRD3
SCHEMBL4761291 0.87 ADRB2 (0.57) ADRB2ADRB1ADRA1DDRD2DRD3
SCHEMBL4557985 0.87 ADRB2 (0.70) ADRB2ADRB1ADRA1DDRD2
Hydrochloric Acid SCHEMBL4715379 0.86 ADRB2 (0.69) ADRB2ADRB1ADRA1DDRD2
SCHEMBL4714954 0.86 ADRB2 (0.68) ADRB2ADRB1ADRA1DDRD2DRD3
SCHEMBL4712112 0.86 ADRB2 (0.59) 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