SCHEMBL4557988

SCHEMBL4557988

COc1ccccc1CNCc1cccc(CCNC(O)(O)Cc2ccc(O)c3[nH]c(=O)sc23)c1

nearest known ligand 0.68

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 20/20 0.68
ADRB1 P08588 15/20 0.68
ADRA1D P25100 15/20 0.68
DRD2 P14416 14/20 0.68

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 SCHEMBL4715380 0.99 ADRB2 (0.67) ADRB2ADRB1ADRA1DDRD2
SCHEMBL4714218 0.96 ADRB2 (0.69) ADRB2ADRB1ADRA1DDRD2
Hydrochloric Acid SCHEMBL4711747 0.95 ADRB2 (0.68) ADRB2ADRB1ADRA1DDRD2
SCHEMBL4716952 0.93 ADRB2 (0.71) ADRB2ADRB1ADRA1DDRD2
Hydrochloric Acid SCHEMBL4715134 0.92 ADRB2 (0.70) ADRB2ADRB1ADRA1DDRD2
SCHEMBL4789945 0.92 ADRB2 (0.68) ADRB2ADRB1ADRA1DDRD2
Hydrochloric Acid SCHEMBL4791663 0.91 ADRB2 (0.67) ADRB2ADRB1ADRA1DDRD2
SCHEMBL4719305 0.90 ADRB2 (0.65) ADRB2ADRB1ADRA1DDRD2
Hydrochloric Acid SCHEMBL4715377 0.88 ADRB2 (0.65) ADRB2ADRB1ADRA1DDRD2
SCHEMBL4790519 0.88 ADRB2 (0.67) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009037503-A2 NEW COMBINATION - 012 FOR THE TREATMENT OF RESPIRATORY DISEASES ASTRAZENECA AB (SE) 2009-03-26 WO claimed
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
WO-2009037503-A2 NEW COMBINATION - 012 FOR THE TREATMENT OF RESPIRATORY DISEASES ASTRAZENECA AB (SE) 2009-03-26 WO disclosed
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