SCHEMBL7039828

SCHEMBL7039828

CS(=O)(=O)Nc1cc([C@@H](O)CN[C@H](Cc2ccc(F)cc2)c2ccc3c(c2)OCO3)ccc1OCc1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 20/20 0.71

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
SCHEMBL7039445 0.86 ADRB3 (0.82) ADRB3
SCHEMBL7042501 0.85 ADRB3 (0.84) ADRB3
SCHEMBL7036850 0.83 ADRB3 (1.00) ADRB3
SCHEMBL7040876 0.83 ADRB3 (1.00) ADRB3
SCHEMBL7039903 0.83 ADRB3 (1.00) ADRB3
SCHEMBL7036847 0.83 ADRB3 (1.00) ADRB3
SCHEMBL7040290 0.83 ADRB3 (1.00) ADRB3
SCHEMBL7039407 0.83 ADRB3 (1.00) ADRB3
SCHEMBL7041424 0.82 ADRB3 (0.57) ADRB3
SCHEMBL7044158 0.82 ADRB3 (0.57) ADRB3

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-0659737-B1 Catecholamine surrogates useful as beta 3 agonists BRISTOL MYERS SQUIBB CO (US) 2003-03-26 EP disclosed