SCHEMBL8528403

SCHEMBL8528403

O=c1[nH]c2c(O)ccc(CCNCCCS(=O)(=O)CCOCCc3ccccc3)c2s1

nearest known ligand 0.93

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 2/20 0.93
ADRB2 P07550 18/20 0.87
ADRB1 P08588 4/20 0.87
DRD2 P14416 3/20 0.87
PDE4A P27815 1/20 0.87

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
Hydrochloric Acid SCHEMBL8527365 0.99 ABCB11 (0.92) ABCB11ADRB2ADRB1DRD2PDE4A
Cadaverine Tartrate SCHEMBL8527693 0.94 ABCB11 (0.83) ABCB11ADRB2ADRB1DRD2PDE4A
Sibenadet SCHEMBL48983 0.93 ADRB2 (1.00) ABCB11ADRB2ADRB1DRD2PDE4A
Sibenadet SCHEMBL30438496 0.93 ADRB2 (1.00) ABCB11ADRB2ADRB1DRD2PDE4A
Sibenadet SCHEMBL249498 0.92 ADRB2 (0.98) ABCB11ADRB2ADRB1DRD2PDE4A
Hexanoate SCHEMBL8532003 0.91 ABCB11 (0.78) ABCB11ADRB2ADRB1DRD2PDE4A
SCHEMBL8531866 0.91 ABCB11 (0.78) ABCB11ADRB2ADRB1DRD2PDE4A
Sibenadet SCHEMBL678828 0.91 ADRB2 (0.97) ABCB11ADRB2ADRB1DRD2PDE4A
SCHEMBL7829477 0.90 ADRB2 (0.81) ABCB11ADRB2ADRB1DRD2PDE4A
SCHEMBL8095472 0.90 ABCB11 (0.84) ABCB11ADRB2ADRB1DRD2PDE4A

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 6 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 claimed
US-5648370-A 7-(2-aminoethyl) benzothiazolones ASTRA PHARMACEUTICALS LIMITED (GB) 1997-07-15 US claimed
EP-0649418-A1 7-(2-AMINOETHYL)-BENZOTHIAZOLONES Astra Pharmaceuticals Limited (GB) 1995-04-26 EP claimed
WO-1993024473-A1 7-(2-AMINOETHYL)-BENZOTHIAZOLONES FISONS PLC (GB) 1993-12-09 WO claimed
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