SCHEMBL7039234

SCHEMBL7039234

COc1ccc(C(CNC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)C(=O)NCc2ccccc2)cc1OC

nearest known ligand 0.65

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ADRB3 P13945 18/20 0.65
▸ ADRB2 P07550 6/20 0.55
▸ ADRB1 P08588 3/20 0.55

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
SCHEMBL7036007 0.93 ADRB3 (0.67) ADRB3ADRB2ADRB1
SCHEMBL7039229 0.88 ADRB3 (0.64) ADRB3ADRB2ADRB1
SCHEMBL7040736 0.87 ADRB3 (0.69) ADRB3ADRB2
SCHEMBL27456146 0.85 ADRB3 (0.69) ADRB3
SCHEMBL5143889 0.83 ADRB3 (0.69) ADRB3ADRB2ADRB1
SCHEMBL7037458 0.83 ADRB3 (0.66) ADRB3
SCHEMBL6547705 0.79 ADRB3 (1.00) ADRB3ADRB2ADRB1
SCHEMBL6547703 0.79 ADRB3 (1.00) ADRB3ADRB2ADRB1
SCHEMBL13676582 0.79 ADRB3 (1.00) ADRB3ADRB2ADRB1
SCHEMBL7040774 0.79 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
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