SCHEMBL5704207

SCHEMBL5704207

CC(C)Oc1cc(-c2ccc(CCOC(N)=O)cc2)ccc1C(=O)NS(C)(=O)=O

nearest known ligand 0.63

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 20/20 0.63
ADRB1 P08588 9/20 0.61

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
SCHEMBL5704078 0.95 ADRB3 (0.60) ADRB3ADRB1
SCHEMBL4583898 0.88 ADRB3 (0.66) ADRB3ADRB1
SCHEMBL5703844 0.88 ADRB3 (0.50) ADRB3ADRB1
SCHEMBL5703945 0.83 ADRB3 (0.61) ADRB3ADRB1
SCHEMBL5704005 0.83 ADRB3 (0.50) ADRB3ADRB1
SCHEMBL5703995 0.82 ADRB3 (0.51) ADRB3ADRB1
Hydrochloric Acid SCHEMBL4585694 0.77 ADRB3 (1.00) ADRB3ADRB1
Hydrochloric Acid SCHEMBL4585699 0.77 ADRB3 (1.00) ADRB3ADRB1
Hydrochloric Acid SCHEMBL1622807 0.77 ADRB3 (1.00) ADRB3ADRB1
Hydrochloric Acid SCHEMBL1622810 0.77 ADRB3 (1.00) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1697301-A2 AMINOALCOHOL DERIVATIVES Astellas Pharma Inc. (JP) 2006-09-06 EP disclosed
WO-2005061433-A2 AMINOALCOHOL DERIVATIVES ASTELLAS PHARMA INC. (JP) 2005-07-07 WO disclosed