SCHEMBL4554542

SCHEMBL4554542

O=C(NCCc1ccc(O)c2[nH]c(=O)sc12)OCCNC1CCCC1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 16/20 0.50
ADRB1 P08588 8/20 0.50
ABCB11 O95342 2/20 0.44
DRD2 P14416 1/20 0.44
PDE4A P27815 1/20 0.44
DRD3 P35462 3/20 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
SCHEMBL3770653 0.99 ADRB2 (0.52) ADRB2ADRB1ABCB11DRD2PDE4A
SCHEMBL2815404 0.78 ADRB2 (0.54) ADRB2ADRB1DRD3
SCHEMBL2817307 0.78 ADRB2 (0.56) ADRB2ADRB1DRD3
SCHEMBL2814120 0.78 ADRB2 (0.56) ADRB2ADRB1DRD3
SCHEMBL2813205 0.78 ADRB2 (0.56) ADRB2ADRB1DRD3
SCHEMBL3685868 0.77 ADRB2 (0.49) ADRB2ADRB1ABCB11DRD2PDE4A
SCHEMBL27717348 0.77 ADRB2 (0.59) ADRB2ADRB1ABCB11DRD2PDE4A
Hydrochloric Acid SCHEMBL27738410 0.76 ADRB2 (0.58) ADRB2ADRB1ABCB11DRD2PDE4A
SCHEMBL4440137 0.75 ADRB2 (0.56) ADRB2ADRB1ABCB11DRD2PDE4A
SCHEMBL2208616 0.75 ADRB2 (0.49) ADRB2ADRB1ABCB11DRD2PDE4A

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