SCHEMBL4586243

SCHEMBL4586243

CC(C)Cc1cc(-c2ccc(CCCN(C[C@@H](O)c3ccccc3)C(=O)O)cc2)ccc1C(=O)NS(C)(=O)=O

nearest known ligand 0.70

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 20/20 0.70
ADRB1 P08588 11/20 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
SCHEMBL4586239 1.00 ADRB3 (0.70) ADRB3ADRB1
SCHEMBL4584395 0.96 ADRB3 (0.71) ADRB3ADRB1
SCHEMBL4584390 0.96 ADRB3 (0.71) ADRB3ADRB1
SCHEMBL4583965 0.93 ADRB3 (0.60) ADRB3ADRB1
SCHEMBL4583972 0.93 ADRB3 (0.60) ADRB3ADRB1
SCHEMBL1622632 0.90 ADRB3 (0.57) ADRB3ADRB1
SCHEMBL1622630 0.90 ADRB3 (0.57) ADRB3ADRB1
SCHEMBL4583797 0.89 ADRB3 (0.61) ADRB3ADRB1
SCHEMBL4583791 0.89 ADRB3 (0.61) ADRB3ADRB1
SCHEMBL4584073 0.88 ADRB3 (0.61) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7417060-B2 Aminoalcohol derivatives ASTELLAS PHARMA INC. (JP) 2008-08-26 US disclosed