SCHEMBL4715369

SCHEMBL4715369

NC(O)(O)Cc1ccc(O)c2[nH]c(=O)sc12

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 16/20 0.46
ADRB1 P08588 8/20 0.46
ABCB11 O95342 2/20 0.39
DRD2 P14416 1/20 0.39
PDE4A P27815 1/20 0.39
DRD3 P35462 1/20 0.38

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 SCHEMBL4558292 0.98 ADRB2 (0.45) ADRB2ADRB1ABCB11DRD2PDE4A
SCHEMBL12119358 0.81 ADRB2 (0.54) ADRB2ADRB1DRD3
SCHEMBL4740762 0.80 ADRB2 (0.52) ADRB2ADRB1ABCB11DRD2PDE4A
SCHEMBL4555603 0.80 ADRB2 (0.49) ADRB2ADRB1ABCB11DRD2PDE4A
Hydrochloric Acid SCHEMBL1179939 0.79 ADRB2 (0.51) ADRB2ADRB1ABCB11DRD2PDE4A
Bromide SCHEMBL1683003 0.79 ADRB2 (0.51) ADRB2ADRB1ABCB11DRD2PDE4A
SCHEMBL1803587 0.78 ADRB2 (0.51) ADRB2ADRB1DRD3
SCHEMBL14291843 0.77 ADRB2 (0.52) ADRB2ADRB1DRD3
SCHEMBL7840281 0.77 ADRB2 (0.47) ADRB2ADRB1ABCB11DRD2PDE4A
SCHEMBL4788200 0.77 ADRB2 (0.47) ADRB2ADRB1ABCB11DRD2PDE4A

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