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SCHEMBL1622368

SCHEMBL1622368

CC(C)(C)OC(=O)N(CCOc1ccc(-c2ccc(C(=O)NS(=O)(=O)CCCO)c(NC3CCCCC3)c2)cc1)C[C@H](O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ADRB3 P13945 20/20 0.47
▸ ADRB1 P08588 12/20 0.47

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
SCHEMBL4931685 0.92 ADRB3 (0.49) ADRB3ADRB1
SCHEMBL4931694 0.92 ADRB3 (0.49) ADRB3ADRB1
SCHEMBL5178403 0.84 ADRB3 (0.46) ADRB3ADRB1
SCHEMBL1622436 0.83 ADRB3 (0.52) ADRB3ADRB1
SCHEMBL1622591 0.83 ADRB3 (0.62) ADRB3ADRB1
SCHEMBL1622593 0.83 ADRB3 (0.62) ADRB3ADRB1
SCHEMBL4583999 0.82 ADRB3 (0.62) ADRB3ADRB1
Hydrochloric Acid SCHEMBL1622451 0.82 ADRB3 (0.63) ADRB3ADRB1
Hydrochloric Acid SCHEMBL1622449 0.82 ADRB3 (0.63) ADRB3ADRB1
SCHEMBL1622959 0.81 ADRB3 (0.55) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7928264-B2 Aminoalcohol derivatives ASTELLAS PHARMA INC. (JP) 2011-04-19 — — US disclosed