SCHEMBL8088585

SCHEMBL8088585

O=c1[nH]c2c(O)ccc(CCNCCCS(=O)(=O)NCCOCCc3ccc(F)cc3)c2s1

nearest known ligand 0.71

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 2/20 0.71
ADRB2 P07550 18/20 0.63
ADRB1 P08588 1/20 0.63
DRD2 P14416 1/20 0.63
PDE4A P27815 1/20 0.63

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 SCHEMBL8097788 0.99 ABCB11 (0.70) ABCB11ADRB2ADRB1DRD2PDE4A
SCHEMBL265361 0.92 ABCB11 (0.71) ABCB11ADRB2ADRB1DRD2PDE4A
SCHEMBL8104306 0.92 ABCB11 (0.71) ABCB11ADRB2ADRB1DRD2PDE4A
SCHEMBL30438565 0.92 ABCB11 (0.71) ABCB11ADRB2ADRB1DRD2PDE4A
SCHEMBL8095472 0.92 ABCB11 (0.84) ABCB11ADRB2ADRB1DRD2PDE4A
Hydrochloric Acid SCHEMBL5051545 0.91 ABCB11 (0.70) ABCB11ADRB2ADRB1DRD2PDE4A
Hydrochloric Acid SCHEMBL8098171 0.91 ABCB11 (0.70) ABCB11ADRB2ADRB1DRD2PDE4A
Hydrochloric Acid SCHEMBL8088900 0.91 ABCB11 (0.82) ABCB11ADRB2ADRB1DRD2PDE4A
SCHEMBL8528272 0.86 ADRB2 (0.84) ABCB11ADRB2ADRB1DRD2PDE4A
Hydrochloric Acid SCHEMBL8533852 0.86 ADRB2 (0.82) 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0850232-B1 BENZOTHIAZOLONE DERIVATIVES ASTRA PHARMA PROD (GB) 2000-03-15 EP claimed
EP-0850232-A1 BENZOTHIAZOLONE DERIVATIVES Astra Pharmaceuticals Limited (GB) 1998-07-01 EP claimed
WO-1997010227-A1 BENZOTHIAZOLONE DERIVATIVES ASTRA PHARMACEUTICALS LIMITED (GB) 1997-03-20 WO claimed
US-6080869-A Benzothiazolone derivatives ASTRA PHARMACEUTICALS LIMITED (GB) 2000-06-27 US disclosed
EP-0850232-B1 BENZOTHIAZOLONE DERIVATIVES ASTRA PHARMA PROD (GB) 2000-03-15 EP disclosed
US-6008365-A ADRENORECEPTOR AGONISTS AND DOPAMINE DA2-RECEPTOR AGONISTS, USEFUL IN THE TREATMENT OF OBSTRUCTIVE AIRWAY DISEASES ASTRA PHARMACEUTICALS LTD. (GB) 1999-12-28 US disclosed
US-5977384-A Benzothiazolone derivatives ASTRA PHARMACEUTICALS LTD. (GB) 1999-11-02 US disclosed
US-5973167-A Intermediates for making benzothiazolone derivatives ASTRA PHARMACEUTICALS LTD. (GB) 1999-10-26 US disclosed
US-5846989-A Benzothiazolone derivatives ASTRA PHARMACEUTICALS LIMITED (GB) 1998-12-08 US disclosed