SCHEMBL7037327

SCHEMBL7037327

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

nearest known ligand 0.84

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ ADRB3 P13945 20/20 0.84

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 0.91 ADRB3 (1.00) ADRB3
SCHEMBL7037515 0.90 ADRB3 (0.88) ADRB3
SCHEMBL7036865 0.89 ADRB3 (1.00) ADRB3
SCHEMBL7037358 0.89 ADRB3 (1.00) ADRB3
SCHEMBL7040281 0.87 ADRB3 (1.00) ADRB3
SCHEMBL7037346 0.81 ADRB3 (0.80) ADRB3
SCHEMBL7036840 0.81 ADRB3 (0.80) ADRB3
SCHEMBL7036838 0.81 ADRB3 (0.80) ADRB3
SCHEMBL7036842 0.81 ADRB3 (0.80) ADRB3
SCHEMBL7040248 0.79 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 2 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-B1 Catecholamine surrogates useful as beta 3 agonists BRISTOL MYERS SQUIBB CO (US) 2003-03-26 — — EP disclosed
Send feedback