SCHEMBL7036865

SCHEMBL7036865

COC(=O)CCCCC(Cc1ccccc1)NCC(O)c1ccc(O)c(NS(C)(=O)=O)c1

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
SCHEMBL7037494 0.92 ADRB3 (1.00) ADRB3
SCHEMBL7037515 0.91 ADRB3 (0.88) ADRB3
SCHEMBL7037358 0.90 ADRB3 (1.00) ADRB3
SCHEMBL7037327 0.89 ADRB3 (0.84) ADRB3
SCHEMBL7036270 0.88 ADRB3 (0.79) ADRB3
SCHEMBL7040281 0.87 ADRB3 (1.00) ADRB3
SCHEMBL7040248 0.83 ADRB3 (0.77) ADRB3
SCHEMBL7037490 0.78 ADRB3 (1.00) ADRB3
SCHEMBL7040662 0.77 ADRB3 (1.00) ADRB3
Hydrochloric Acid SCHEMBL6478326 0.77 ADRB3 (0.75) 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
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