SCHEMBL4715442

SCHEMBL4715442

COc1ccccc1CN(C)Cc1cccc(CCNC(O)(O)Cc2ccc(O)c3[nH]c(=O)sc23)c1

nearest known ligand 0.68

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 20/20 0.68
ADRB1 P08588 12/20 0.68
ADRA1D P25100 11/20 0.68
DRD2 P14416 10/20 0.68
DRD3 P35462 1/20 0.41

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 SCHEMBL4711619 0.99 ADRB2 (0.67) ADRB2ADRB1ADRA1DDRD2DRD3
SCHEMBL4789945 0.89 ADRB2 (0.68) ADRB2ADRB1ADRA1DDRD2
Hydrochloric Acid SCHEMBL4791663 0.88 ADRB2 (0.67) ADRB2ADRB1ADRA1DDRD2
SCHEMBL4714218 0.88 ADRB2 (0.69) ADRB2ADRB1ADRA1DDRD2
Hydrochloric Acid SCHEMBL4711747 0.88 ADRB2 (0.68) ADRB2ADRB1ADRA1DDRD2
SCHEMBL4557988 0.88 ADRB2 (0.68) ADRB2ADRB1ADRA1DDRD2
SCHEMBL1801970 0.88 ADRB2 (0.74) ADRB2ADRB1ADRA1DDRD2DRD3
Hydrochloric Acid SCHEMBL4715380 0.87 ADRB2 (0.67) ADRB2ADRB1ADRA1DDRD2
Hydrochloric Acid SCHEMBL1801318 0.87 ADRB2 (0.73) ADRB2ADRB1ADRA1DDRD2DRD3
SCHEMBL4715439 0.84 ADRB2 (0.71) 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 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