SCHEMBL6679810

SCHEMBL6679810

CC(=O)Oc1cc(S(=O)(=O)c2ccc(CCNC[C@@H](O)c3cccc(Cl)c3)cc2)ccc1O

nearest known ligand 0.54

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 20/20 0.54
ADRB1 P08588 12/20 0.53

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
SCHEMBL6679806 1.00 ADRB3 (0.54) ADRB3ADRB1
Hydrochloric Acid SCHEMBL6677030 0.99 ADRB3 (0.54) ADRB3ADRB1
SCHEMBL6553990 0.90 ADRB3 (0.55) ADRB3ADRB1
SCHEMBL6552613 0.90 ADRB3 (0.55) ADRB3ADRB1
Hydrochloric Acid SCHEMBL6552644 0.90 ADRB3 (0.54) ADRB3ADRB1
SCHEMBL6554452 0.89 ADRB3 (0.55) ADRB3ADRB1
Hydrochloric Acid SCHEMBL6552910 0.89 ADRB3 (0.54) ADRB3ADRB1
SCHEMBL6553088 0.88 ADRB3 (0.62) ADRB3ADRB1
SCHEMBL6552708 0.88 ADRB3 (0.62) ADRB3ADRB1
SCHEMBL6681281 0.88 ADRB3 (0.62) 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
WO-2004045610-A1 AMINOALCOHOL DERIVATIVES AND THEIR USE AS BETA-3 ADRENERGIC RECEPTOR AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD (JP) 2004-06-03 WO disclosed