SCHEMBL6677322

SCHEMBL6677322

CC(C)(C)OC(=O)N(CCc1ccc(S(=O)(=O)c2ccc(-c3ccccc3)cc2C(=O)O)cc1)C[C@H](O)c1cccc(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 17/20 0.43
ADRB1 P08588 13/20 0.43
BACE1 P56817 3/20 0.40

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
SCHEMBL6804154 0.89 ADRB3 (0.52) ADRB3ADRB1
SCHEMBL6677354 0.88 ADRB3 (0.50) ADRB3ADRB1
SCHEMBL6541176 0.86 ADRB3 (0.46) ADRB3ADRB1BACE1
SCHEMBL6541170 0.86 ADRB3 (0.46) ADRB3ADRB1BACE1
SCHEMBL6804845 0.85 ADRB3 (0.45) ADRB3ADRB1BACE1
SCHEMBL6803535 0.85 BACE1 (0.39) ADRB3ADRB1BACE1
SCHEMBL6679372 0.85 BACE1 (0.39) ADRB3ADRB1BACE1
SCHEMBL6554211 0.84 BACE1 (0.40) ADRB3ADRB1BACE1
SCHEMBL6541553 0.84 BACE1 (0.40) ADRB3ADRB1BACE1
SCHEMBL6541560 0.84 BACE1 (0.40) ADRB3ADRB1BACE1

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