SCHEMBL7167667

SCHEMBL7167667

CC(C)C[C@@H](NC(=O)c1ccc(N2CCCCC2NCC(O)c2ccc(O)c(NS(C)(=O)=O)c2)cc1)C(=O)O

nearest known ligand 0.75

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 20/20 0.75
ADRB2 P07550 15/20 0.75
ADRB1 P08588 13/20 0.75

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
SCHEMBL7163827 0.90 ADRB3 (0.76) ADRB3ADRB2ADRB1
SCHEMBL28751611 0.86 ADRB3 (1.00) ADRB3ADRB2ADRB1
SCHEMBL7167677 0.86 ADRB3 (1.00) ADRB3ADRB2ADRB1
SCHEMBL6074181 0.86 ADRB3 (1.00) ADRB3ADRB2ADRB1
SCHEMBL6074190 0.86 ADRB3 (1.00) ADRB3ADRB2ADRB1
SCHEMBL7164934 0.85 ADRB3 (0.67) ADRB3ADRB2ADRB1
SCHEMBL7131569 0.82 ADRB3 (1.00) ADRB3ADRB2ADRB1
SCHEMBL7131573 0.82 ADRB3 (1.00) ADRB3ADRB2ADRB1
SCHEMBL7204658 0.80 ADRB3 (0.55) ADRB3ADRB2ADRB1
SCHEMBL6074987 0.79 ADRB3 (0.86) 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