SCHEMBL6239101

SCHEMBL6239101

CC(C)(C)OC(=O)N(CCCc1ccc(O)cc1)C[C@H](O)c1cccc(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 6/20 0.43
ADRB3 P13945 10/20 0.40
ADRB1 P08588 7/20 0.40
SLC2A1 P11166 1/20 0.39
ADRB2 P07550 1/20 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
SCHEMBL6244538 0.95 BACE1 (0.43) BACE1ADRB3ADRB1SLC2A1ADRB2
SCHEMBL27635239 0.92 ADRB3 (0.42) BACE1ADRB3ADRB1SLC2A1ADRB2
SCHEMBL27656299 0.92 ADRB3 (0.42) BACE1ADRB3ADRB1SLC2A1ADRB2
SCHEMBL27635157 0.91 GLI1 (0.47) BACE1ADRB3ADRB1
SCHEMBL4472057 0.90 ADRB3 (0.45) BACE1ADRB3ADRB1SLC2A1ADRB2
SCHEMBL4472051 0.90 ADRB3 (0.45) BACE1ADRB3ADRB1SLC2A1ADRB2
SCHEMBL27656169 0.90 ADRB3 (0.46) BACE1ADRB3ADRB1SLC2A1ADRB2
SCHEMBL6541562 0.89 BACE1 (0.40) BACE1ADRB3ADRB1SLC2A1ADRB2
SCHEMBL6541553 0.89 BACE1 (0.40) BACE1ADRB3ADRB1SLC2A1ADRB2
SCHEMBL6541560 0.89 BACE1 (0.40) BACE1ADRB3ADRB1SLC2A1ADRB2

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