SCHEMBL4664543

SCHEMBL4664543

O=C(CCOCCc1ccccc1)N(CCNCCc1ccc(O)c2[nH]c(=O)sc12)Cc1cccnc1.O=CCN(Cc1cccnc1)C(=O)CCOCCc1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 20/20 0.72

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
SCHEMBL3597690 0.96 ADRB2 (0.77) ADRB2
SCHEMBL3584505 0.89 ADRB2 (0.86) ADRB2
SCHEMBL3596833 0.85 ADRB2 (0.89) ADRB2
SCHEMBL3581965 0.83 ADRB2 (0.88) ADRB2
SCHEMBL3585936 0.83 ADRB2 (1.00) ADRB2
SCHEMBL3582012 0.82 ADRB2 (0.80) ADRB2
SCHEMBL3583972 0.81 ADRB2 (0.81) ADRB2
SCHEMBL3592448 0.81 ADRB2 (1.00) ADRB2
SCHEMBL3596653 0.81 ADRB2 (0.84) ADRB2
SCHEMBL8879991 0.81 ADRB2 (1.00) ADRB2

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-1915354-A1 NOVEL BENZOTHIAZOLONE DERIVATIVES AstraZeneca AB (SE) 2008-04-30 EP disclosed
WO-2007018461-A1 NOVEL BENZOTHIAZOLONE DERIVATIVES ASTRAZENECA AB (SE) 2007-02-15 WO disclosed