SCHEMBL4717634

SCHEMBL4717634

O=c1[nH]c2c(O)ccc(C(O)(O)CNCCc3cccc(CCNC4CCCCC4)c3)c2s1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 20/20 0.48
ADRB1 P08588 14/20 0.48
DRD2 P14416 10/20 0.47
ADRA1D P25100 10/20 0.47
DRD3 P35462 2/20 0.47

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
SCHEMBL4761534 0.84 ADRB2 (0.67) ADRB2ADRB1DRD2ADRA1DDRD3
SCHEMBL4761779 0.84 ADRB2 (0.57) ADRB2ADRB1DRD2ADRA1DDRD3
SCHEMBL4759225 0.84 ADRB2 (0.67) ADRB2ADRB1DRD2ADRA1DDRD3
Hydrochloric Acid SCHEMBL4761532 0.84 ADRB2 (0.57) ADRB2ADRB1DRD2ADRA1DDRD3
SCHEMBL4762327 0.83 ADRB2 (0.68) ADRB2ADRB1DRD2ADRA1DDRD3
Hydrochloric Acid SCHEMBL4760836 0.83 ADRB2 (0.67) ADRB2ADRB1DRD2ADRA1DDRD3
SCHEMBL4716723 0.81 ADRB2 (0.61) ADRB2ADRB1DRD2ADRA1DDRD3
SCHEMBL1799655 0.81 ADRB2 (0.73) ADRB2ADRB1DRD2ADRA1DDRD3
SCHEMBL1799656 0.81 ADRB2 (0.73) ADRB2ADRB1DRD2ADRA1DDRD3
SCHEMBL4717638 0.81 ADRB2 (0.50) 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 4 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
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