SCHEMBL8533198

SCHEMBL8533198

O=C(CS(=O)(=O)CCCOCCc1ccccc1)NCCc1ccc(O)c2[nH]c(=O)sc12

nearest known ligand 0.77

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 18/20 0.77
ADRB1 P08588 5/20 0.77
DRD2 P14416 3/20 0.77
ABCB11 O95342 2/20 0.77
PDE4A P27815 1/20 0.77

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
SCHEMBL8532728 0.92 ADRB2 (0.65) ADRB2ADRB1DRD2ABCB11PDE4A
SCHEMBL7837307 0.88 ADRB2 (0.80) ADRB2ADRB1DRD2ABCB11PDE4A
SCHEMBL8531752 0.87 ADRB2 (0.74) ADRB2ADRB1DRD2ABCB11PDE4A
Sibenadet SCHEMBL30438496 0.87 ADRB2 (1.00) ADRB2ADRB1DRD2ABCB11PDE4A
Sibenadet SCHEMBL48983 0.87 ADRB2 (1.00) ADRB2ADRB1DRD2ABCB11PDE4A
SCHEMBL7836282 0.87 ADRB2 (0.79) ADRB2ADRB1DRD2ABCB11PDE4A
SCHEMBL8527334 0.87 ADRB2 (0.73) ADRB2ADRB1DRD2ABCB11PDE4A
Sibenadet SCHEMBL249498 0.86 ADRB2 (0.98) ADRB2ADRB1DRD2ABCB11PDE4A
SCHEMBL7840332 0.86 ADRB2 (0.77) ADRB2ADRB1DRD2ABCB11PDE4A
SCHEMBL7836704 0.86 ADRB2 (0.77) ADRB2ADRB1DRD2ABCB11PDE4A

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-0649418-B1 7-(2-AMINOETHYL)-BENZOTHIAZOLONES ASTRA PHARMA PROD (GB) 1998-10-28 EP disclosed
US-5648370-A 7-(2-aminoethyl) benzothiazolones ASTRA PHARMACEUTICALS LIMITED (GB) 1997-07-15 US disclosed