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Sugi Predict / Compounds / SCHEMBL1622083

SCHEMBL1622083

SCHEMBL1622083

CC(C)(C)OC(=O)N(CCc1ccc(-c2ccc(C(=O)NS(=O)(=O)CCC(N)=O)c(OC3CCCCC3)c2)cc1)C[C@H](O)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ADRB3 P13945 20/20 0.56
▸ ADRB1 P08588 11/20 0.56
▸ ADRB2 P07550 1/20 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
SCHEMBL1622978 0.95 ADRB3 (0.57) ADRB3ADRB1ADRB2
SCHEMBL1622979 0.95 ADRB3 (0.57) ADRB3ADRB1ADRB2
SCHEMBL1622172 0.94 ADRB3 (0.56) ADRB3ADRB1ADRB2
SCHEMBL1622171 0.94 ADRB3 (0.56) ADRB3ADRB1ADRB2
SCHEMBL1623104 0.92 ADRB3 (0.56) ADRB3ADRB1ADRB2
SCHEMBL4932737 0.92 ADRB3 (0.60) ADRB3ADRB1ADRB2
SCHEMBL4932729 0.92 ADRB3 (0.60) ADRB3ADRB1ADRB2
SCHEMBL1623042 0.92 ADRB3 (0.56) ADRB3ADRB1ADRB2
SCHEMBL1621941 0.90 ADRB3 (0.54) ADRB3ADRB1ADRB2
SCHEMBL1621937 0.90 ADRB3 (0.54) 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