SCHEMBL1620734

SCHEMBL1620734

CC(C)(C)OC(=O)N(CCc1ccc(-c2ccc(C(=O)NS(=O)(=O)CCCO)c(OC3CCCCC3)c2)cc1)C[C@H](O)c1cccnc1

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 20/20 0.60
ADRB1 P08588 9/20 0.60
ADRB2 P07550 1/20 0.48

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
SCHEMBL1622715 0.94 ADRB3 (0.61) ADRB3ADRB1ADRB2
SCHEMBL1622284 0.94 ADRB3 (0.58) ADRB3ADRB1ADRB2
SCHEMBL1622280 0.94 ADRB3 (0.58) ADRB3ADRB1ADRB2
SCHEMBL4393739 0.92 ADRB3 (0.62) ADRB3ADRB1ADRB2
SCHEMBL1622108 0.92 ADRB3 (0.62) ADRB3ADRB1ADRB2
SCHEMBL4393728 0.92 ADRB3 (0.62) ADRB3ADRB1ADRB2
SCHEMBL1622114 0.92 ADRB3 (0.62) ADRB3ADRB1ADRB2
SCHEMBL1622436 0.92 ADRB3 (0.52) ADRB3ADRB1ADRB2
SCHEMBL1623042 0.91 ADRB3 (0.56) ADRB3ADRB1ADRB2
SCHEMBL1622816 0.90 ADRB3 (0.56) 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-7928264-B2 Aminoalcohol derivatives ASTELLAS PHARMA INC. (JP) 2011-04-19 US disclosed