SCHEMBL6239350

SCHEMBL6239350

CC(C)(C)OC(=O)N(CCc1ccc(-c2ccc(C=O)s2)cc1)C[C@H](O)c1cccc(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 17/20 0.45
ADRB1 P08588 15/20 0.45
BACE1 P56817 3/20 0.38

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
SCHEMBL4469784 0.87 ADRB3 (0.59) ADRB3ADRB1BACE1
SCHEMBL4469788 0.87 ADRB3 (0.59) ADRB3ADRB1BACE1
SCHEMBL4474254 0.87 ADRB3 (0.52) ADRB3ADRB1
SCHEMBL4474256 0.87 ADRB3 (0.52) ADRB3ADRB1
SCHEMBL6244538 0.83 BACE1 (0.43) ADRB3ADRB1BACE1
SCHEMBL5668952 0.83 ADRB3 (0.56) ADRB3ADRB1BACE1
SCHEMBL27635239 0.82 ADRB3 (0.42) ADRB3ADRB1BACE1
SCHEMBL27656299 0.82 ADRB3 (0.42) ADRB3ADRB1BACE1
SCHEMBL4462454 0.82 BACE1 (0.43) ADRB3ADRB1BACE1
SCHEMBL1622477 0.82 BACE1 (0.43) ADRB3ADRB1BACE1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1546086-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-06-29 EP disclosed
WO-2004002939-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-01-08 WO disclosed