SCHEMBL7085539

SCHEMBL7085539

CS(=O)(=O)Nc1cc([C@@H](O)CNC2CCN(S(=O)(=O)c3ccc(CC4SC(=O)NC4=O)cc3)CC2)ccc1O

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 20/20 0.60
ADRB1 P08588 12/20 0.60
ADRB2 P07550 11/20 0.60
ADRA2A P08913 1/20 0.60
ADRA2B P18089 1/20 0.60
ADRA2C P18825 1/20 0.60
ADRA1D P25100 1/20 0.60
ADRA1A P35348 1/20 0.60
ADRA1B P35368 1/20 0.60

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
SCHEMBL6987392 1.00 ADRB3 (0.60) ADRB3ADRB1ADRB2ADRA2AADRA2B
SCHEMBL6074081 0.89 ADRB3 (0.75) ADRB3ADRB1ADRB2ADRA2AADRA2B
Hydrochloric Acid SCHEMBL6074156 0.89 ADRB3 (0.74) ADRB3ADRB1ADRB2ADRA2AADRA2B
SCHEMBL6074690 0.87 ADRB3 (0.67) ADRB3ADRB1ADRB2ADRA2AADRA2B
SCHEMBL6074731 0.83 ADRB3 (0.70) ADRB3ADRB1ADRB2ADRA2AADRA2B
SCHEMBL6074253 0.83 ADRB3 (0.63) ADRB3ADRB1ADRB2ADRA2AADRA2B
SCHEMBL6074855 0.81 ADRB3 (0.61) ADRB3ADRB1ADRB2ADRA2AADRA2B
SCHEMBL7225278 0.81 ADRB3 (0.60) ADRB3ADRB1ADRB2ADRA2AADRA2B
SCHEMBL7530132 0.79 ADRB3 (0.74) ADRB3ADRB1ADRB2ADRA2AADRA2B
SCHEMBL7117049 0.78 ADRB3 (0.73) ADRB3ADRB1ADRB2ADRA2AADRA2B

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-1328512-A2 CYCLYLAMINE SULFONAMIDES AS BETA-3 ADRENERGIC RECEPTOR AGONISTS Wyeth (US) 2003-07-23 EP disclosed
WO-2002006221-A2 CYCLYLAMINE SULFONAMIDES AS BETA-3 ADRENERGIC RECEPTOR AGONISTS WYETH (US) 2002-01-24 WO disclosed