SCHEMBL4771283

SCHEMBL4771283

CCN(CC)CC(NCCC(Cc1ccc(O)c2[nH]c(=O)sc12)OC(N)=O)C(=O)CCOCCc1cccc(Cl)c1Cl

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 20/20 0.45
ADRB1 P08588 1/20 0.43
DRD2 P14416 1/20 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
SCHEMBL4775880 0.89 ADRB2 (0.47) ADRB2
SCHEMBL3588402 0.84 ADRB2 (0.53) ADRB2ADRB1DRD2
SCHEMBL4773485 0.78 ADRB2 (0.58) ADRB2
Hydrochloric Acid SCHEMBL4773682 0.73 ADRB2 (0.49) ADRB2ADRB1
SCHEMBL3589910 0.73 ADRB2 (0.80) ADRB2
SCHEMBL4771290 0.71 ADRB2 (0.56) ADRB2ADRB1DRD2
SCHEMBL3588405 0.71 ADRB2 (0.64) ADRB2
SCHEMBL4771293 0.71 ADRB2 (0.66) ADRB2
Trifluoroacetic Acid SCHEMBL3582500 0.70 ADRB2 (0.73) ADRB2
SCHEMBL3623719 0.68 ADRB2 (0.60) ADRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1915354-A1 NOVEL BENZOTHIAZOLONE DERIVATIVES AstraZeneca AB (SE) 2008-04-30 EP disclosed
WO-2007018461-A1 NOVEL BENZOTHIAZOLONE DERIVATIVES ASTRAZENECA AB (SE) 2007-02-15 WO disclosed