SCHEMBL7836282

SCHEMBL7836282

O=C(CCCCOCCc1ccccc1)NCCc1ccc(O)c2[nH]c(=O)sc12

nearest known ligand 0.79

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 18/20 0.79
ADRB1 P08588 4/20 0.67
DRD2 P14416 3/20 0.67
ABCB11 O95342 2/20 0.67
PDE4A P27815 1/20 0.67

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
SCHEMBL7836704 0.99 ADRB2 (0.77) ADRB2ADRB1DRD2ABCB11PDE4A
SCHEMBL7840332 0.99 ADRB2 (0.77) ADRB2ADRB1DRD2ABCB11PDE4A
SCHEMBL7837307 0.97 ADRB2 (0.80) ADRB2ADRB1DRD2ABCB11PDE4A
SCHEMBL7838150 0.96 ADRB2 (0.73) ADRB2ADRB1DRD2ABCB11PDE4A
SCHEMBL7839917 0.95 ADRB2 (0.72) ADRB2ADRB1DRD2ABCB11PDE4A
SCHEMBL8669684 0.94 ADRB2 (0.73) ADRB2ADRB1DRD2ABCB11PDE4A
SCHEMBL7838768 0.92 ADRB2 (0.68) ADRB2ADRB1DRD2ABCB11PDE4A
SCHEMBL7838985 0.92 ADRB2 (0.67) ADRB2ADRB1DRD2ABCB11PDE4A
SCHEMBL8527334 0.91 ADRB2 (0.73) ADRB2ADRB1DRD2ABCB11PDE4A
SCHEMBL7838263 0.90 ADRB2 (0.65) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0558677-B1 BIOLOGICALLY ACTIVE AMINES ASTRAZENECA AB (SE) 2001-08-16 EP disclosed
US-5763465-A 7-(2-aminoethyl) benzothiazolones ASTRA PHARMACEUTICALS LIMITED (GB) 1998-06-09 US disclosed
US-5648370-A 7-(2-aminoethyl) benzothiazolones ASTRA PHARMACEUTICALS LIMITED (GB) 1997-07-15 US disclosed