SCHEMBL6074313

SCHEMBL6074313

CC(Oc1ccc(S(=O)(=O)Nc2ccc(N3CCC(NC[C@@H](O)c4ccc(O)c(NS(C)(=O)=O)c4)CC3)cc2)cc1)C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 20/20 0.67
ADRB2 P07550 14/20 0.67
ADRB1 P08588 12/20 0.67
ADRA2A P08913 1/20 0.55
ADRA2B P18089 1/20 0.55
ADRA2C P18825 1/20 0.55
ADRA1D P25100 1/20 0.55
ADRA1A P35348 1/20 0.55
ADRA1B P35368 1/20 0.55

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
SCHEMBL6074305 1.00 ADRB3 (0.67) ADRB3ADRB2ADRB1ADRA2AADRA2B
SCHEMBL6074876 0.92 ADRB3 (0.56) ADRB3ADRB2ADRB1
SCHEMBL6074885 0.92 ADRB3 (0.56) ADRB3ADRB2ADRB1
SCHEMBL6075138 0.89 ADRB3 (0.70) ADRB3ADRB2ADRB1ADRA2AADRA2B
SCHEMBL6075126 0.89 ADRB3 (0.70) ADRB3ADRB2ADRB1ADRA2AADRA2B
SCHEMBL6075428 0.88 ADRB3 (0.86) ADRB3ADRB2ADRB1ADRA2AADRA2B
SCHEMBL6075435 0.88 ADRB3 (0.86) ADRB3ADRB2ADRB1ADRA2AADRA2B
SCHEMBL6074736 0.87 ADRB3 (0.70) ADRB3ADRB2ADRB1ADRA2AADRA2B
SCHEMBL6074373 0.87 ADRB3 (0.75) ADRB3ADRB2ADRB1ADRA2AADRA2B
SCHEMBL6074382 0.87 ADRB3 (0.75) 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
US-7022716-B2 Cyclic amine phenyl beta-3 adrenergic receptor agonists WYETH (US) 2006-04-04 US disclosed