SCHEMBL4584667

SCHEMBL4584667

CC(C)Cc1cc(-c2ccc(CCN(C[C@@H](O)c3cccnc3)C(=O)OC(C)(C)C)cc2)ccc1C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 20/20 0.63
ADRB1 P08588 14/20 0.51
ADRB2 P07550 2/20 0.48

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
SCHEMBL4584662 1.00 ADRB3 (0.63) ADRB3ADRB1ADRB2
SCHEMBL4584886 0.92 ADRB3 (0.55) ADRB3ADRB1ADRB2
SCHEMBL4584880 0.92 ADRB3 (0.55) ADRB3ADRB1ADRB2
SCHEMBL4583928 0.88 ADRB3 (0.53) ADRB3ADRB1
SCHEMBL4583920 0.88 ADRB3 (0.53) ADRB3ADRB1
SCHEMBL4583962 0.87 ADRB3 (0.52) ADRB3ADRB1ADRB2
SCHEMBL4583966 0.87 ADRB3 (0.52) ADRB3ADRB1ADRB2
SCHEMBL4463379 0.85 ADRB3 (0.51) ADRB3ADRB1
SCHEMBL1620795 0.84 ADRB3 (0.64) ADRB3ADRB1
SCHEMBL1620798 0.84 ADRB3 (0.64) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7417060-B2 Aminoalcohol derivatives ASTELLAS PHARMA INC. (JP) 2008-08-26 US disclosed
EP-1697301-A2 AMINOALCOHOL DERIVATIVES Astellas Pharma Inc. (JP) 2006-09-06 EP disclosed
WO-2005061433-A2 AMINOALCOHOL DERIVATIVES ASTELLAS PHARMA INC. (JP) 2005-07-07 WO disclosed