SCHEMBL2213787

SCHEMBL2213787

C=CC(=O)N(CCN(CC(Cc1ccccc1)c1ccc(O)c2[nH]c(=O)sc12)C(=O)O)C1CCOCC1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 20/20 0.39
ADRB1 P08588 18/20 0.39
DRD3 P35462 4/20 0.38
DRD2 P14416 3/20 0.36
ADRA1D P25100 1/20 0.36

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
SCHEMBL2214145 0.93 ADRB2 (0.42) ADRB2ADRB1DRD3
SCHEMBL2209598 0.93 ADRB2 (0.43) ADRB2ADRB1DRD3
SCHEMBL2211368 0.90 ADRB2 (0.38) ADRB2ADRB1DRD3DRD2ADRA1D
SCHEMBL2213782 0.90 ADRB2 (0.38) ADRB2ADRB1DRD3DRD2
SCHEMBL2210752 0.90 ADRB2 (0.40) ADRB2ADRB1DRD3DRD2ADRA1D
SCHEMBL2211946 0.82 ADRB2 (0.45) ADRB2ADRB1DRD3DRD2ADRA1D
SCHEMBL2815992 0.81 ADRB2 (0.39) ADRB2ADRB1
SCHEMBL2213432 0.80 ADRB2 (0.41) ADRB2ADRB1DRD3DRD2ADRA1D
SCHEMBL2212530 0.80 ADRB2 (0.43) ADRB2ADRB1DRD3DRD2ADRA1D
SCHEMBL2212004 0.79 ADRB2 (0.42) ADRB2ADRB1DRD3

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