SCHEMBL7038499

SCHEMBL7038499

CS(=O)(=O)Nc1cccc([C@@H](O)CN[C@H](Cc2ccccc2)c2ccc3c(c2)OCO3)c1

nearest known ligand 0.77

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 20/20 0.77

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
SCHEMBL7041127 1.00 ADRB3 (0.77) ADRB3
SCHEMBL7041124 1.00 ADRB3 (0.77) ADRB3
SCHEMBL7039903 0.87 ADRB3 (1.00) ADRB3
SCHEMBL7040290 0.87 ADRB3 (1.00) ADRB3
SCHEMBL7036847 0.87 ADRB3 (1.00) ADRB3
SCHEMBL7036850 0.87 ADRB3 (1.00) ADRB3
SCHEMBL7040876 0.87 ADRB3 (1.00) ADRB3
SCHEMBL7039407 0.87 ADRB3 (1.00) ADRB3
SCHEMBL7039445 0.86 ADRB3 (0.82) ADRB3
SCHEMBL7036235 0.81 ADRB3 (0.77) 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 4 patents. 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
EP-0659737-A2 Catecholamine surrogates useful as B3 agonists BRISTOL-MYERS SQUIBB COMPANY (US) 1995-06-28 EP claimed
EP-0659737-B1 Catecholamine surrogates useful as beta 3 agonists BRISTOL MYERS SQUIBB CO (US) 2003-03-26 EP disclosed
EP-0659737-A2 Catecholamine surrogates useful as B3 agonists BRISTOL-MYERS SQUIBB COMPANY (US) 1995-06-28 EP disclosed