SCHEMBL4582981

SCHEMBL4582981

COC(=O)c1ccc(-c2ccc(CCCN(C[C@@H](O)c3cccnc3)C(=O)OC(C)(C)C)cc2)cc1OCC(C)C

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 19/20 0.45
ADRB1 P08588 16/20 0.44
CYP51A1 Q16850 1/20 0.37

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
SCHEMBL4582976 1.00 ADRB3 (0.45) ADRB3ADRB1CYP51A1
SCHEMBL4584860 0.96 ADRB3 (0.46) ADRB3ADRB1CYP51A1
SCHEMBL4584856 0.96 ADRB3 (0.46) ADRB3ADRB1CYP51A1
SCHEMBL1620529 0.91 ADRB3 (0.56) ADRB3ADRB1
SCHEMBL1620527 0.91 ADRB3 (0.56) ADRB3ADRB1
SCHEMBL4583928 0.89 ADRB3 (0.53) ADRB3ADRB1
SCHEMBL4583920 0.89 ADRB3 (0.53) ADRB3ADRB1
SCHEMBL1622910 0.87 ADRB3 (0.47) ADRB3ADRB1
SCHEMBL1621007 0.85 ADRB3 (0.46) ADRB3ADRB1
SCHEMBL1621003 0.85 ADRB3 (0.46) 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