SCHEMBL7628962

SCHEMBL7628962

CC(C)[C@H](NS(=O)(=O)c1ccc(N2CCC(NC[C@H](O)c3ccc(O)c(NS(C)(=O)=O)c3)CC2)cc1)C(=O)O

nearest known ligand 0.78

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 20/20 0.78
ADRB2 P07550 15/20 0.78
ADRB1 P08588 13/20 0.72
ADRA2A P08913 1/20 0.58
ADRA2B P18089 1/20 0.58
ADRA2C P18825 1/20 0.58
ADRA1D P25100 1/20 0.58
ADRA1A P35348 1/20 0.58
ADRA1B P35368 1/20 0.58

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
SCHEMBL7628973 1.00 ADRB3 (0.78) ADRB3ADRB2ADRB1ADRA2AADRA2B
SCHEMBL6801029 0.92 ADRB3 (0.68) ADRB3ADRB2ADRB1ADRA2AADRA2B
SCHEMBL6801026 0.91 ADRB3 (0.68) ADRB3ADRB2ADRB1ADRA2AADRA2B
SCHEMBL6802642 0.90 ADRB3 (0.74) ADRB3ADRB2ADRB1ADRA2AADRA2B
SCHEMBL6802649 0.90 ADRB3 (0.74) ADRB3ADRB2ADRB1ADRA2AADRA2B
SCHEMBL7618567 0.89 ADRB3 (0.78) ADRB3ADRB2ADRB1ADRA2AADRA2B
SCHEMBL7618578 0.89 ADRB3 (0.78) ADRB3ADRB2ADRB1ADRA2AADRA2B
SCHEMBL28751608 0.88 ADRB3 (1.00) ADRB3ADRB2ADRB1
SCHEMBL7170154 0.88 ADRB3 (1.00) ADRB3ADRB2ADRB1
SCHEMBL6074395 0.88 ADRB3 (1.00) ADRB3ADRB2ADRB1

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-6444685-B1 THERAPY FOR METABOLISM DISEASES; DIETETICS; ANTIDIABETIC AGENTS WYETH 2002-09-03 US disclosed