SCHEMBL1683044

SCHEMBL1683044

NC(=O)OCC(CCNC1CCCCC1)(Cc1ccccc1)c1ccc(O)c2[nH]c(=O)sc12

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 19/20 0.45
ADRB1 P08588 19/20 0.45
DRD3 P35462 7/20 0.40
TAAR1 Q96RJ0 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
SCHEMBL1683037 0.80 ADRB2 (0.47) ADRB2ADRB1DRD3
SCHEMBL1683031 0.77 ADRB2 (0.44) ADRB2ADRB1DRD3
SCHEMBL3770650 0.72 ADRB2 (0.61) ADRB2ADRB1DRD3
SCHEMBL4554541 0.71 ADRB2 (0.59) ADRB2ADRB1DRD3
SCHEMBL4717634 0.69 ADRB2 (0.48) ADRB2ADRB1DRD3
SCHEMBL1683040 0.69 ADRB2 (0.50) ADRB2ADRB1DRD3
SCHEMBL2210710 0.69 ADRB2 (0.48) ADRB2ADRB1
SCHEMBL1683042 0.69 ADRB2 (0.48) ADRB2ADRB1
SCHEMBL2212511 0.69 ADRB2 (0.48) ADRB2ADRB1
SCHEMBL3770646 0.68 ADRB2 (0.52) 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