SCHEMBL7699121

SCHEMBL7699121

CCCCCC(=O)N1CCC(Nc2ccc(CCNCC(O)COc3ccc(O[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)cc3)cc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 20/20 0.61
ADRB1 P08588 17/20 0.61
ADRB2 P07550 2/20 0.52

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
SCHEMBL7091280 1.00 ADRB3 (0.61) ADRB3ADRB1ADRB2
SCHEMBL7090763 0.91 ADRB3 (0.75) ADRB3ADRB1ADRB2
SCHEMBL7600554 0.89 ADRB3 (0.71) ADRB3ADRB1ADRB2
SCHEMBL7094525 0.89 ADRB3 (0.71) ADRB3ADRB1ADRB2
SCHEMBL7094990 0.88 ADRB3 (0.63) ADRB3ADRB1ADRB2
SCHEMBL7094254 0.88 ADRB3 (0.73) ADRB3ADRB1ADRB2
SCHEMBL7568701 0.88 ADRB3 (0.69) ADRB3ADRB1ADRB2
SCHEMBL7091450 0.88 ADRB3 (0.74) ADRB3ADRB1ADRB2
SCHEMBL7700281 0.87 ADRB3 (0.55) ADRB3ADRB1ADRB2
SCHEMBL7094978 0.87 ADRB3 (0.55) ADRB3ADRB1ADRB2

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
WO-2002006229-A2 HETEROCYCLIC BETA-3 ADRENERGIC RECEPTOR AGONISTS WYETH (US) 2002-01-24 WO disclosed