SCHEMBL7560636

SCHEMBL7560636

CCOC(=O)CN(CC(C)C)S(=O)(=O)c1ccc(N2CCC(NCC(O)c3ccc(O)c(NS(C)(=O)=O)c3)CC2)cc1

nearest known ligand 0.69

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 20/20 0.69
ADRB2 P07550 15/20 0.69
ADRB1 P08588 13/20 0.69
ADRA2A P08913 1/20 0.54
ADRA2B P18089 1/20 0.54
ADRA2C P18825 1/20 0.54
ADRA1D P25100 1/20 0.54
ADRA1A P35348 1/20 0.54
ADRA1B P35368 1/20 0.54

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
SCHEMBL6800469 1.00 ADRB3 (0.69) ADRB3ADRB2ADRB1ADRA2AADRA2B
SCHEMBL6800475 1.00 ADRB3 (0.69) ADRB3ADRB2ADRB1ADRA2AADRA2B
SCHEMBL6802187 0.92 ADRB3 (0.69) ADRB3ADRB2ADRB1
SCHEMBL6802193 0.92 ADRB3 (0.69) ADRB3ADRB2ADRB1
SCHEMBL6799097 0.92 ADRB3 (0.68) ADRB3ADRB2ADRB1ADRA2AADRA2B
SCHEMBL6799103 0.92 ADRB3 (0.68) ADRB3ADRB2ADRB1ADRA2AADRA2B
SCHEMBL6803153 0.91 ADRB3 (0.72) ADRB3ADRB2ADRB1ADRA2AADRA2B
SCHEMBL6803156 0.91 ADRB3 (0.72) ADRB3ADRB2ADRB1ADRA2AADRA2B
SCHEMBL6800231 0.91 ADRB3 (0.71) ADRB3ADRB2ADRB1ADRA2AADRA2B
SCHEMBL6800238 0.91 ADRB3 (0.71) ADRB3ADRB2ADRB1ADRA2AADRA2B

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002006274-A1 N-(4-SULFONYLARYL)CYCLYLAMINE-2-HYDROXYETHYLAMINES AS BETA-3 ADRENERGIC RECEPTOR AGONISTS WYETH (US) 2002-01-24 WO disclosed