SCHEMBL7038503

SCHEMBL7038503

COC(=O)COc1ccc(C(NCC(O)c2ccc(O)c(NS(C)(=O)=O)c2)c2ccc(OCC(=O)OC)cc2)cc1

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
SCHEMBL7038492 1.00 ADRB3 (0.77) ADRB3
SCHEMBL7042399 0.87 ADRB3 (1.00) ADRB3
SCHEMBL7037934 0.87 ADRB3 (1.00) ADRB3
SCHEMBL7036775 0.84 ADRB3 (0.92) ADRB3
SCHEMBL9907183 0.83 ADRB3 (0.84) ADRB3
SCHEMBL7042110 0.82 ADRB3 (1.00) ADRB3
SCHEMBL7042103 0.82 ADRB3 (1.00) ADRB3
SCHEMBL7040255 0.81 ADRB3 (1.00) ADRB3
SCHEMBL7039349 0.81 ADRB3 (1.00) ADRB3
SCHEMBL7039345 0.81 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 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