SCHEMBL1622010

SCHEMBL1622010

CC(C)(C)OC(=O)N(CCc1ccc(-c2ccc(C(=O)NS(=O)(=O)CCO)c(OC3CCCCC3)c2)cc1)C[C@H](O)c1ccc(Cl)nc1

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 20/20 0.50
ADRB1 P08588 12/20 0.47
ADRB2 P07550 3/20 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
SCHEMBL1620989 0.96 ADRB3 (0.49) ADRB3ADRB1ADRB2
SCHEMBL5177325 0.95 ADRB3 (0.50) ADRB3ADRB1ADRB2
SCHEMBL4941326 0.92 ADRB3 (0.52) ADRB3ADRB1ADRB2
SCHEMBL4941328 0.92 ADRB3 (0.52) ADRB3ADRB1ADRB2
SCHEMBL1622441 0.89 ADRB3 (0.58) ADRB3ADRB1ADRB2
SCHEMBL1623058 0.88 ADRB3 (0.51) ADRB3ADRB1ADRB2
SCHEMBL1623055 0.88 ADRB3 (0.51) ADRB3ADRB1ADRB2
SCHEMBL1622773 0.88 ADRB3 (0.48) ADRB3ADRB1ADRB2
SCHEMBL1622739 0.87 ADRB3 (0.53) ADRB3ADRB1ADRB2
SCHEMBL1622738 0.87 ADRB3 (0.53) 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