SCHEMBL6677313

SCHEMBL6677313

CC(C)(C)OC(=O)N(CCc1ccc(Sc2ccc(C=O)cc2)cc1)C[C@H](O)c1cccc(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 14/20 0.45
BACE1 P56817 3/20 0.39
ADRB1 P08588 9/20 0.37
SLC2A1 P11166 1/20 0.35

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
SCHEMBL4472057 0.90 ADRB3 (0.45) ADRB3BACE1ADRB1SLC2A1
SCHEMBL4472051 0.90 ADRB3 (0.45) ADRB3BACE1ADRB1SLC2A1
SCHEMBL6241306 0.90 ADRB3 (0.45) ADRB3BACE1ADRB1SLC2A1
SCHEMBL6541582 0.87 ADRB3 (0.44) ADRB3BACE1ADRB1SLC2A1
SCHEMBL6241482 0.87 ADRB3 (0.46) ADRB3BACE1ADRB1
SCHEMBL6541590 0.87 ADRB3 (0.44) ADRB3BACE1ADRB1SLC2A1
SCHEMBL6541595 0.87 ADRB3 (0.44) ADRB3BACE1ADRB1SLC2A1
SCHEMBL6241489 0.86 ADRB3 (0.46) ADRB3BACE1ADRB1SLC2A1
SCHEMBL6804724 0.86 ADRB3 (0.49) ADRB3ADRB1
SCHEMBL6804730 0.86 ADRB3 (0.49) 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