SCHEMBL2212591

SCHEMBL2212591

CC(C)(C)OC(=O)NCCN(CC(Cc1ccccc1)c1ccc(O)c2[nH]c(=O)sc12)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 20/20 0.49
ADRB1 P08588 13/20 0.49
DRD2 P14416 4/20 0.43
ADRA1D P25100 2/20 0.42
DRD3 P35462 2/20 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
SCHEMBL2210952 0.84 ADRB2 (0.49) ADRB2ADRB1DRD2ADRA1DDRD3
Hydrochloric Acid SCHEMBL3608919 0.83 ADRB2 (0.49) ADRB2ADRB1DRD2
SCHEMBL2212233 0.81 ADRB2 (0.46) ADRB2ADRB1DRD2ADRA1DDRD3
SCHEMBL2208618 0.81 ADRB2 (0.54) ADRB2ADRB1DRD3
SCHEMBL2215025 0.80 ADRB2 (0.55) ADRB2ADRB1DRD3
SCHEMBL2212515 0.80 ADRB2 (0.55) ADRB2ADRB1DRD3
SCHEMBL2213182 0.80 ADRB2 (0.47) ADRB2ADRB1DRD2ADRA1DDRD3
SCHEMBL2209616 0.79 ADRB2 (0.44) ADRB2ADRB1DRD2ADRA1DDRD3
SCHEMBL2812735 0.79 ADRB2 (0.48) ADRB2
SCHEMBL2210916 0.78 ADRB2 (0.44) ADRB2ADRB1DRD2ADRA1DDRD3

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