SCHEMBL4717902

SCHEMBL4717902

O=c1[nH]c2c(O)ccc(CC(O)(O)NCCc3ccc(CNCC(c4ccccc4)c4ccccc4)cc3)c2s1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 20/20 0.56
ADRB1 P08588 11/20 0.56
ADRA1D P25100 10/20 0.56
DRD2 P14416 9/20 0.56

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
SCHEMBL4719210 0.92 ADRB2 (0.59) ADRB2ADRB1ADRA1DDRD2
SCHEMBL1799411 0.86 ADRB2 (0.60) ADRB2ADRB1ADRA1DDRD2
SCHEMBL4712722 0.82 ADRB2 (0.77) ADRB2ADRB1ADRA1DDRD2
SCHEMBL4716952 0.82 ADRB2 (0.71) ADRB2ADRB1ADRA1DDRD2
SCHEMBL4714728 0.82 ADRB2 (0.79) ADRB2ADRB1ADRA1DDRD2
SCHEMBL4714962 0.82 ADRB2 (0.64) ADRB2ADRB1ADRA1DDRD2
SCHEMBL4717897 0.81 ADRB2 (0.59) ADRB2ADRB1ADRA1DDRD2
SCHEMBL4714828 0.81 ADRB2 (0.81) ADRB2ADRB1ADRA1DDRD2
Hydrochloric Acid SCHEMBL4715134 0.81 ADRB2 (0.70) ADRB2ADRB1ADRA1DDRD2
SCHEMBL1799410 0.79 ADRB2 (0.86) 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