SCHEMBL7204658

SCHEMBL7204658

CS(=O)(=O)Nc1cc(C(O)CN[C@H]2CCCCN2c2ccc(/C=C/C(=O)O)cc2)ccc1O

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 20/20 0.55
ADRB1 P08588 10/20 0.55
ADRB2 P07550 11/20 0.53

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
SCHEMBL6074917 0.85 ADRB3 (0.77) ADRB3ADRB1ADRB2
SCHEMBL6074912 0.85 ADRB3 (0.77) ADRB3ADRB1ADRB2
SCHEMBL7204661 0.85 ADRB3 (0.77) ADRB3ADRB1ADRB2
SCHEMBL6074916 0.85 ADRB3 (0.77) ADRB3ADRB1ADRB2
SCHEMBL7166129 0.81 ADRB3 (0.60) ADRB3ADRB1ADRB2
SCHEMBL7167667 0.80 ADRB3 (0.75) ADRB3ADRB1ADRB2
SCHEMBL7163827 0.79 ADRB3 (0.76) ADRB3ADRB1ADRB2
SCHEMBL7199801 0.79 ADRB3 (0.65) ADRB3ADRB1ADRB2
SCHEMBL7164934 0.78 ADRB3 (0.67) ADRB3ADRB1ADRB2
SCHEMBL6073990 0.75 ADRB3 (0.72) 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