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SCHEMBL4584943

SCHEMBL4584943

COC(=O)c1ccc(-c2ccc(CCN(C[C@@H](OC3CCCCO3)c3ccccc3)C(=O)OC(C)(C)C)cc2)cc1OC(C)C

nearest known ligand 0.41

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ADRB3 P13945 20/20 0.41
▸ ADRB1 P08588 11/20 0.41

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
SCHEMBL4584937 1.00 ADRB3 (0.41) ADRB3ADRB1
SCHEMBL1622469 0.94 ADRB3 (0.46) ADRB3ADRB1
SCHEMBL1622471 0.94 ADRB3 (0.46) ADRB3ADRB1
SCHEMBL4584147 0.92 ADRB3 (0.46) ADRB3ADRB1
SCHEMBL4584153 0.92 ADRB3 (0.46) ADRB3ADRB1
SCHEMBL4584673 0.91 PPARG (0.36) ADRB3ADRB1
SCHEMBL4584676 0.91 PPARG (0.36) ADRB3ADRB1
SCHEMBL1622140 0.89 ADRB3 (0.42) ADRB3ADRB1
SCHEMBL1622138 0.89 ADRB3 (0.42) ADRB3ADRB1
SCHEMBL1622756 0.88 ADRB3 (0.41) 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
US-7417060-B2 Aminoalcohol derivatives ASTELLAS PHARMA INC. (JP) 2008-08-26 — — US disclosed