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SCHEMBL1622100

SCHEMBL1622100

CC(C)(C)OC(=O)N(CCc1ccc(-c2ccc(C(=O)NS(=O)(=O)CCCO)c(OC3CCCCC3)c2)cc1)C[C@H](O)c1ccc(N)cc1

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ADRB3 P13945 20/20 0.57
▸ ADRB1 P08588 10/20 0.48
▸ ADRB2 P07550 2/20 0.44

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
SCHEMBL1622441 0.96 ADRB3 (0.58) ADRB3ADRB1ADRB2
SCHEMBL1623042 0.92 ADRB3 (0.56) ADRB3ADRB1ADRB2
SCHEMBL4941250 0.92 ADRB3 (0.60) ADRB3ADRB1ADRB2
SCHEMBL4941256 0.92 ADRB3 (0.60) ADRB3ADRB1ADRB2
SCHEMBL5703973 0.91 ADRB3 (0.69) ADRB3ADRB1ADRB2
SCHEMBL1620989 0.90 ADRB3 (0.49) ADRB3ADRB1ADRB2
SCHEMBL5704053 0.89 ADRB3 (0.68) ADRB3ADRB1ADRB2
SCHEMBL1620734 0.89 ADRB3 (0.60) ADRB3ADRB1ADRB2
SCHEMBL1619975 0.89 ADRB3 (0.60) ADRB3ADRB1ADRB2
SCHEMBL1619973 0.89 ADRB3 (0.60) 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 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