SCHEMBL1622355

SCHEMBL1622355

COCCS(=O)(=O)NC(=O)c1ccc(-c2ccc(CCN(C[C@H](O)c3ccccc3)C(=O)OC(C)(C)C)cc2)cc1SC(C)C

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 20/20 0.54
ADRB1 P08588 10/20 0.46
ADRB2 P07550 1/20 0.40

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
SCHEMBL1628497 0.93 ADRB3 (0.53) ADRB3ADRB1ADRB2
SCHEMBL5703886 0.91 ADRB3 (0.66) ADRB3ADRB1ADRB2
SCHEMBL1622294 0.91 ADRB3 (0.59) ADRB3ADRB1ADRB2
SCHEMBL1622297 0.91 ADRB3 (0.59) ADRB3ADRB1ADRB2
SCHEMBL4583714 0.87 ADRB3 (0.54) ADRB3ADRB1ADRB2
SCHEMBL4471875 0.87 ADRB3 (0.54) ADRB3ADRB1ADRB2
SCHEMBL1622455 0.86 ADRB3 (0.46) ADRB3ADRB1ADRB2
SCHEMBL4583644 0.86 ADRB3 (0.61) ADRB3ADRB1ADRB2
SCHEMBL4583637 0.86 ADRB3 (0.61) ADRB3ADRB1ADRB2
SCHEMBL1620342 0.85 ADRB3 (0.44) ADRB3ADRB1ADRB2

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
US-7928264-B2 Aminoalcohol derivatives ASTELLAS PHARMA INC. (JP) 2011-04-19 US disclosed
EP-1791811-A1 AMINOALCOHOL DERIVATIVES Astellas Pharma Inc. (JP) 2007-06-06 EP disclosed
WO-2006033446-A1 AMINOALCOHOL DERIVATIVES ASTELLAS PHARMA INC. (JP) 2006-03-30 WO disclosed