SCHEMBL2213239

SCHEMBL2213239

CC(C)NC(Cc1ccccc1)CN(CCc1ccc(O)c2[nH]c(=O)sc12)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 18/20 0.49
ADRB1 P08588 4/20 0.43

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
SCHEMBL2214988 0.91 ADRB2 (0.50) ADRB2ADRB1
SCHEMBL2213179 0.89 ADRB2 (0.50) ADRB2ADRB1
SCHEMBL2212319 0.85 ADRB2 (0.46) ADRB2ADRB1
SCHEMBL2815878 0.80 ADRB2 (0.50) ADRB2ADRB1
SCHEMBL2814686 0.78 ADRB2 (0.47) ADRB2ADRB1
SCHEMBL1683032 0.77 ADRB2 (0.50) ADRB2ADRB1
SCHEMBL2213237 0.76 ADRB2 (0.53) ADRB2ADRB1
SCHEMBL3178715 0.75 ADRB2 (0.51) ADRB2ADRB1
SCHEMBL2211832 0.75 ADRB2 (0.53) ADRB2ADRB1
SCHEMBL2818621 0.74 ADRB2 (0.49) ADRB2ADRB1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2121642-B1 4-HYDR0XY-2-0X0-2, 3 -DIHYDRO- 1, 3-BENZOTHIAZOL- 7YL COMPOUNDS FOR MODULATION OF B2-ADRENORECEPTOR ACTIVITY ASTRAZENECA AB (SE) 2011-07-27 EP disclosed