SCHEMBL8528272

SCHEMBL8528272

O=c1[nH]c2c(O)ccc(CCNCCS(=O)(=O)CCCOCCc3ccc(F)cc3)c2s1

nearest known ligand 0.84

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 18/20 0.84
ADRB1 P08588 2/20 0.84
DRD2 P14416 2/20 0.84
PDE4A P27815 1/20 0.84
ABCB11 O95342 2/20 0.78

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 SCHEMBL8533852 0.99 ADRB2 (0.82) ADRB2ADRB1DRD2PDE4AABCB11
Sibenadet SCHEMBL48983 0.91 ADRB2 (1.00) ADRB2ADRB1DRD2PDE4AABCB11
Sibenadet SCHEMBL30438496 0.91 ADRB2 (1.00) ADRB2ADRB1DRD2PDE4AABCB11
Sibenadet SCHEMBL249498 0.90 ADRB2 (0.98) ADRB2ADRB1DRD2PDE4AABCB11
Sibenadet SCHEMBL678828 0.90 ADRB2 (0.97) ADRB2ADRB1DRD2PDE4AABCB11
SCHEMBL8532728 0.87 ADRB2 (0.65) ADRB2ADRB1DRD2PDE4AABCB11
SCHEMBL8088585 0.86 ABCB11 (0.71) ADRB2ADRB1DRD2PDE4AABCB11
Hydrochloric Acid SCHEMBL8097788 0.86 ABCB11 (0.70) ADRB2ADRB1DRD2PDE4AABCB11
SCHEMBL8528403 0.84 ABCB11 (0.93) ADRB2ADRB1DRD2PDE4AABCB11
Hydrochloric Acid SCHEMBL8527365 0.83 ABCB11 (0.92) ADRB2ADRB1DRD2PDE4AABCB11

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 4 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