SCHEMBL7597864

SCHEMBL7597864

CS(=O)(=O)Nc1cc([C@@H](O)CNCCOc2ccc3c(c2)[nH]c2ccccc23)ccc1Br

nearest known ligand 0.54

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 20/20 0.54
ADRA1A P35348 11/20 0.54

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
SCHEMBL6914671 1.00 ADRB3 (0.54) ADRB3ADRA1A
Hydrochloric Acid SCHEMBL7108143 0.99 ADRB3 (0.53) ADRB3ADRA1A
Hydrochloric Acid SCHEMBL7558523 0.99 ADRB3 (0.53) ADRB3ADRA1A
SCHEMBL7257104 0.92 ADRB3 (0.57) ADRB3ADRA1A
SCHEMBL7251189 0.92 ADRB3 (0.53) ADRB3ADRA1A
SCHEMBL7251461 0.92 ADRB3 (0.53) ADRB3ADRA1A
SCHEMBL7256810 0.92 ADRB3 (0.53) ADRB3ADRA1A
SCHEMBL7252310 0.92 ADRB3 (0.57) ADRB3ADRA1A
SCHEMBL7252305 0.92 ADRB3 (0.57) ADRB3ADRA1A
SCHEMBL7257581 0.91 ADRB3 (0.52) ADRB3ADRA1A

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
EP-1258253-A1 NOVEL REMEDIES WITH THE USE OF BETA3 AGONIST Asahi Kasei Kabushiki Kaisha (JP) 2002-11-20 EP disclosed