SCHEMBL4585274

SCHEMBL4585274

CS(=O)(=O)NC(=O)c1ccc(-c2ccc(CCCN(C[C@@H](O)c3ccccc3)C(=O)O)cc2)cc1C1CCCC1

nearest known ligand 0.71

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 20/20 0.71
ADRB1 P08588 11/20 0.55

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
SCHEMBL4585266 1.00 ADRB3 (0.71) ADRB3ADRB1
SCHEMBL4584384 0.93 ADRB3 (0.62) ADRB3ADRB1
SCHEMBL4584388 0.93 ADRB3 (0.62) ADRB3ADRB1
SCHEMBL1620794 0.89 ADRB3 (0.57) ADRB3ADRB1
SCHEMBL1620792 0.89 ADRB3 (0.57) ADRB3ADRB1
SCHEMBL4585743 0.89 ADRB3 (0.63) ADRB3ADRB1
SCHEMBL4585741 0.89 ADRB3 (0.63) ADRB3ADRB1
SCHEMBL4584772 0.87 ADRB3 (0.60) ADRB3ADRB1
SCHEMBL4584763 0.87 ADRB3 (0.60) ADRB3ADRB1
SCHEMBL4585898 0.87 ADRB3 (0.74) 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