SCHEMBL4554540

SCHEMBL4554540

NC(=O)OC(CCNC1CCCC1)Cc1ccc(O)c2[nH]c(=O)sc12

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 18/20 0.51
ADRB1 P08588 17/20 0.51
DRD3 P35462 7/20 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
SCHEMBL3770646 0.99 ADRB2 (0.52) ADRB2ADRB1DRD3
SCHEMBL4554541 0.79 ADRB2 (0.59) ADRB2ADRB1DRD3
SCHEMBL3770650 0.78 ADRB2 (0.61) ADRB2ADRB1DRD3
Hydrochloric Acid SCHEMBL4773682 0.78 ADRB2 (0.49) ADRB2ADRB1
SCHEMBL3685863 0.75 ADRB2 (0.40) ADRB2ADRB1DRD3
SCHEMBL4554542 0.74 ADRB2 (0.50) ADRB2ADRB1DRD3
SCHEMBL2815404 0.73 ADRB2 (0.54) ADRB2ADRB1DRD3
SCHEMBL3770653 0.73 ADRB2 (0.52) ADRB2ADRB1DRD3
SCHEMBL1683037 0.73 ADRB2 (0.47) ADRB2ADRB1DRD3
SCHEMBL2817307 0.72 ADRB2 (0.56) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2121642-A1 4-HYDR0XY-2-0X0-2, 3 -DIHYDRO- 1, 3-BENZOTHIAZOL- 7YL COMPOUNDS FOR MODULATION OF B2-ADRENORECEPTOR ACTIVITY AstraZeneca AB (SE) 2009-11-25 EP disclosed
WO-2008075026-A1 4-HYDR0XY-2-0X0-2, 3 -DIHYDRO- 1, 3-BENZOTHIAZOL- 7YL COMPOUNDS FOR MODULATION OF B2-ADRENORECEPTOR ACTIVITY ASTRAZENECA AB (SE) 2008-06-26 WO disclosed