SCHEMBL7037540

SCHEMBL7037540

COc1ccc([C@@H](NC[C@@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)C(=O)Nc2ccc3c(c2)OCO3)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 20/20 1.00

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
SCHEMBL7039439 1.00 ADRB3 (1.00) ADRB3
SCHEMBL7039679 0.85 ADRB3 (1.00) ADRB3
SCHEMBL7039681 0.85 ADRB3 (1.00) ADRB3
SCHEMBL7039677 0.85 ADRB3 (1.00) ADRB3
SCHEMBL7044476 0.85 ADRB3 (1.00) ADRB3
SCHEMBL7037353 0.85 ADRB3 (1.00) ADRB3
SCHEMBL7039361 0.85 ADRB3 (1.00) ADRB3
SCHEMBL7039266 0.85 ADRB3 (1.00) ADRB3
SCHEMBL7040176 0.85 ADRB3 (1.00) ADRB3
SCHEMBL7040667 0.85 ADRB3 (1.00) 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 claimed