SCHEMBL1683040

SCHEMBL1683040

NC(=O)OCC(CC(Cc1ccccc1)NC1CCCCC1)c1ccc(O)c2[nH]c(=O)sc12

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 20/20 0.50
ADRB1 P08588 20/20 0.50
DRD3 P35462 8/20 0.46
DRD2 P14416 1/20 0.42
ADRA1D P25100 1/20 0.42

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
SCHEMBL3770650 0.80 ADRB2 (0.61) ADRB2ADRB1DRD3
SCHEMBL4554541 0.79 ADRB2 (0.59) ADRB2ADRB1DRD3
SCHEMBL2212359 0.74 ADRB2 (0.55) ADRB2ADRB1DRD3
SCHEMBL2212515 0.74 ADRB2 (0.55) ADRB2ADRB1DRD3
SCHEMBL2215025 0.74 ADRB2 (0.55) ADRB2ADRB1DRD3
SCHEMBL3685866 0.74 ADRB2 (0.48) ADRB2ADRB1DRD3DRD2ADRA1D
SCHEMBL2208618 0.73 ADRB2 (0.54) ADRB2ADRB1DRD3
SCHEMBL1683025 0.72 ADRB2 (0.52) ADRB2ADRB1DRD3DRD2ADRA1D
SCHEMBL1683044 0.69 ADRB2 (0.45) ADRB2ADRB1DRD3
SCHEMBL2209598 0.68 ADRB2 (0.43) 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-2303266-A1 PHARMACEUTICAL COMPOSITION COMPRISING A 4-HYDROXY-2-OXO-2, 3- DIHYDRO-1, 3-BENZOTHIAZOL-7-YL COMPOUND FOR MODULATION OF BETA2-ADRENORECEPTOR ACTIVITY AstraZeneca AB (SE) 2011-04-06 EP disclosed