SCHEMBL7167677

SCHEMBL7167677

CC(C)C[C@H](NC(=O)c1ccc(N2CCC(NCC(O)c3ccc(O)c(NS(C)(=O)=O)c3)CC2)cc1)C(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 20/20 1.00
ADRB2 P07550 16/20 1.00
ADRB1 P08588 14/20 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
SCHEMBL6074190 1.00 ADRB3 (1.00) ADRB3ADRB2ADRB1
SCHEMBL28751611 1.00 ADRB3 (1.00) ADRB3ADRB2ADRB1
SCHEMBL6074181 1.00 ADRB3 (1.00) ADRB3ADRB2ADRB1
SCHEMBL6074987 0.93 ADRB3 (0.86) ADRB3ADRB2ADRB1
SCHEMBL6074958 0.92 ADRB3 (0.86) ADRB3ADRB2ADRB1
SCHEMBL6074950 0.92 ADRB3 (0.86) ADRB3ADRB2ADRB1
SCHEMBL7165633 0.91 ADRB3 (0.84) ADRB3ADRB2ADRB1
SCHEMBL6075463 0.91 ADRB3 (0.84) ADRB3ADRB2ADRB1
SCHEMBL6074042 0.91 ADRB3 (0.84) ADRB3ADRB2ADRB1
SCHEMBL6074029 0.91 ADRB3 (0.84) 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