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SCHEMBL1620463

SCHEMBL1620463

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

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ADRB3 P13945 20/20 0.53
▸ ADRB1 P08588 9/20 0.53
▸ ADRB2 P07550 1/20 0.42

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
SCHEMBL1622118 0.94 ADRB3 (0.55) ADRB3ADRB1ADRB2
SCHEMBL1622120 0.94 ADRB3 (0.55) ADRB3ADRB1ADRB2
SCHEMBL1622687 0.93 ADRB3 (0.53) ADRB3ADRB1ADRB2
SCHEMBL1622236 0.91 ADRB3 (0.52) ADRB3ADRB1ADRB2
SCHEMBL1622242 0.91 ADRB3 (0.52) ADRB3ADRB1ADRB2
SCHEMBL1622685 0.91 ADRB3 (0.52) ADRB3ADRB1ADRB2
SCHEMBL1622690 0.91 ADRB3 (0.52) ADRB3ADRB1ADRB2
SCHEMBL5178742 0.91 ADRB3 (0.54) ADRB3ADRB1ADRB2
SCHEMBL1622391 0.89 ADRB3 (0.50) ADRB3ADRB1ADRB2
SCHEMBL1622395 0.89 ADRB3 (0.50) 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