SCHEMBL5704199

SCHEMBL5704199

CCCNc1cc(-c2ccc(CCN(C[C@H](O)c3ccccc3)C(=O)OC(C)(C)C)cc2)ccc1C(=O)NS(C)(=O)=O

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 20/20 0.53
ADRB1 P08588 9/20 0.53

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
SCHEMBL4584477 0.90 ADRB3 (0.57) ADRB3ADRB1
SCHEMBL4584471 0.90 ADRB3 (0.57) ADRB3ADRB1
SCHEMBL5703729 0.90 ADRB3 (0.46) ADRB3ADRB1
SCHEMBL1620389 0.85 ADRB3 (0.66) ADRB3ADRB1
SCHEMBL5703884 0.85 ADRB3 (0.64) ADRB3ADRB1
SCHEMBL5703886 0.84 ADRB3 (0.66) ADRB3ADRB1
SCHEMBL4584815 0.84 ADRB3 (0.56) ADRB3ADRB1
SCHEMBL4582768 0.83 ADRB3 (0.54) ADRB3ADRB1
SCHEMBL4582771 0.83 ADRB3 (0.54) ADRB3ADRB1
SCHEMBL4584554 0.83 ADRB3 (0.53) ADRB3ADRB1

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-1697301-A2 AMINOALCOHOL DERIVATIVES Astellas Pharma Inc. (JP) 2006-09-06 EP disclosed
WO-2005061433-A2 AMINOALCOHOL DERIVATIVES ASTELLAS PHARMA INC. (JP) 2005-07-07 WO disclosed