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SCHEMBL6241306

SCHEMBL6241306

CC(C)(C)OC(=O)N(CCc1ccc(Sc2ccc([O])cc2)cc1)C[C@H](O)c1cccc(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ADRB3 P13945 14/20 0.45
▸ BACE1 P56817 3/20 0.40
▸ SLC2A1 P11166 1/20 0.36
▸ ADRB1 P08588 9/20 0.36
▸ ADRB2 P07550 1/20 0.35

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
SCHEMBL4472057 0.93 ADRB3 (0.45) ADRB3BACE1SLC2A1ADRB1ADRB2
SCHEMBL4472051 0.93 ADRB3 (0.45) ADRB3BACE1SLC2A1ADRB1ADRB2
SCHEMBL6677313 0.90 ADRB3 (0.45) ADRB3BACE1SLC2A1ADRB1
SCHEMBL6241482 0.90 ADRB3 (0.46) ADRB3BACE1ADRB1ADRB2
SCHEMBL6541595 0.90 ADRB3 (0.44) ADRB3BACE1SLC2A1ADRB1ADRB2
SCHEMBL6541582 0.90 ADRB3 (0.44) ADRB3BACE1SLC2A1ADRB1ADRB2
SCHEMBL6541590 0.90 ADRB3 (0.44) ADRB3BACE1SLC2A1ADRB1ADRB2
SCHEMBL6241489 0.89 ADRB3 (0.46) ADRB3BACE1SLC2A1ADRB1ADRB2
SCHEMBL6554211 0.88 BACE1 (0.40) ADRB3BACE1SLC2A1ADRB1ADRB2
SCHEMBL4461459 0.88 ADRB3 (0.61) ADRB3BACE1ADRB1ADRB2

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