SCHEMBL7204661

SCHEMBL7204661

CS(=O)(=O)Nc1cc(C(O)CNC2CCN(c3ccc(/C=C/C(=O)O)cc3)CC2)ccc1O

nearest known ligand 0.77

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 20/20 0.77
ADRB1 P08588 11/20 0.77
ADRB2 P07550 12/20 0.73

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
SCHEMBL6074916 1.00 ADRB3 (0.77) ADRB3ADRB1ADRB2
SCHEMBL6074917 1.00 ADRB3 (0.77) ADRB3ADRB1ADRB2
SCHEMBL6074912 1.00 ADRB3 (0.77) ADRB3ADRB1ADRB2
SCHEMBL6073990 0.90 ADRB3 (0.72) ADRB3ADRB1ADRB2
SCHEMBL6073986 0.90 ADRB3 (0.72) ADRB3ADRB1ADRB2
SCHEMBL6074100 0.90 ADRB3 (0.72) ADRB3ADRB1ADRB2
SCHEMBL6073993 0.90 ADRB3 (0.72) ADRB3ADRB1ADRB2
SCHEMBL6074538 0.87 ADRB3 (1.00) ADRB3ADRB1ADRB2
SCHEMBL6074543 0.87 ADRB3 (1.00) ADRB3ADRB1ADRB2
SCHEMBL27581510 0.87 ADRB3 (1.00) 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 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