SCHEMBL27635239

SCHEMBL27635239

CC(C)(C)OC(=O)N(CCc1ccc(Cc2ccc(O)cc2)cc1)C[C@H](O)c1cccc(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 9/20 0.42
ADRB1 P08588 6/20 0.42
BACE1 P56817 6/20 0.42
GLI1 P08151 2/20 0.40
GLI2 P10070 2/20 0.40
SLC2A1 P11166 1/20 0.38
ADRB2 P07550 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
SCHEMBL27656299 1.00 ADRB3 (0.42) ADRB3ADRB1BACE1GLI1GLI2
SCHEMBL6244538 0.97 BACE1 (0.43) ADRB3ADRB1BACE1GLI1GLI2
SCHEMBL27635157 0.93 GLI1 (0.47) ADRB3ADRB1BACE1GLI1GLI2
SCHEMBL6239101 0.92 BACE1 (0.43) ADRB3ADRB1BACE1SLC2A1ADRB2
SCHEMBL4472057 0.92 ADRB3 (0.45) ADRB3ADRB1BACE1GLI1GLI2
SCHEMBL4472051 0.92 ADRB3 (0.45) ADRB3ADRB1BACE1GLI1GLI2
SCHEMBL27656169 0.92 ADRB3 (0.46) ADRB3ADRB1BACE1GLI1GLI2
SCHEMBL6541560 0.91 BACE1 (0.40) ADRB3ADRB1BACE1GLI1GLI2
SCHEMBL6541553 0.91 BACE1 (0.40) ADRB3ADRB1BACE1GLI1GLI2
SCHEMBL6541562 0.91 BACE1 (0.40) ADRB3ADRB1BACE1GLI1GLI2

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
CN-1802355-A Aminoalcohol derivatives FUJISAWA PHARMACEUTICAL CO (JP) 2006-07-12 CN disclosed