SCHEMBL7199801

SCHEMBL7199801

COC(=O)[C@@H]1CCCN1C(=O)c1ccc(N2CCCC[C@@H]2NCC(O)c2ccc(O)c(NS(C)(=O)=O)c2)cc1

nearest known ligand 0.65

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 20/20 0.65
ADRB2 P07550 13/20 0.65
ADRB1 P08588 11/20 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
SCHEMBL6074175 0.87 ADRB3 (0.86) ADRB3ADRB2ADRB1
SCHEMBL7130105 0.83 ADRB3 (0.70) ADRB3ADRB2ADRB1
SCHEMBL7130113 0.83 ADRB3 (0.70) ADRB3ADRB2ADRB1
SCHEMBL6074734 0.79 ADRB3 (1.00) ADRB3ADRB2ADRB1
SCHEMBL7204658 0.79 ADRB3 (0.55) ADRB3ADRB2ADRB1
SCHEMBL7164934 0.78 ADRB3 (0.67) ADRB3ADRB2ADRB1
SCHEMBL7167667 0.78 ADRB3 (0.75) ADRB3ADRB2ADRB1
SCHEMBL7166129 0.77 ADRB3 (0.60) ADRB3ADRB2ADRB1
SCHEMBL7163827 0.77 ADRB3 (0.76) ADRB3ADRB2ADRB1
SCHEMBL7133544 0.76 ADRB3 (0.82) ADRB3ADRB2ADRB1

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-1301482-A1 CYCLIC AMINE PHENYL BETA-3 ADRENERGIC RECEPTOR AGONISTS Wyeth (US) 2003-04-16 EP disclosed
WO-2002006232-A1 CYCLIC AMINE PHENYL BETA-3 ADRENERGIC RECEPTOR AGONISTS WYETH (US) 2002-01-24 WO disclosed