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Sugi Predict / Compounds / SCHEMBL6677352

SCHEMBL6677352

SCHEMBL6677352

CC(C)(C)OC(=O)C(NCCc1ccc(S(=O)(=O)c2ccc(-c3ccc(C(=O)O)cc3)cc2)cc1)[C@H](O)c1cccc(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ADRB3 P13945 20/20 0.52
▸ ADRB1 P08588 17/20 0.52

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
SCHEMBL6242949 0.89 ADRB3 (0.54) ADRB3ADRB1
SCHEMBL6677318 0.88 ADRB3 (0.45) ADRB3ADRB1
SCHEMBL6677317 0.88 ADRB3 (0.57) ADRB3ADRB1
SCHEMBL6679366 0.86 ADRB3 (0.39) ADRB3ADRB1
SCHEMBL6677819 0.86 ADRB3 (0.40) ADRB3ADRB1
SCHEMBL6676373 0.86 ADRB3 (0.40) ADRB3ADRB1
SCHEMBL6680598 0.85 ADRB3 (0.40) ADRB3ADRB1
SCHEMBL6677474 0.85 ADRB3 (0.40) ADRB3ADRB1
SCHEMBL6678047 0.84 ADRB3 (0.39) ADRB3ADRB1
SCHEMBL6679493 0.84 ADRB3 (0.47) 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
WO-2004045610-A1 AMINOALCOHOL DERIVATIVES AND THEIR USE AS BETA-3 ADRENERGIC RECEPTOR AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD (JP) 2004-06-03 — — WO disclosed