SCHEMBL3532874

SCHEMBL3532874

COc1ccc(S(=O)(=O)N2C=CNC(=O)[C@H]2CC(=O)N[C@@H]2CCCc3cc(CN4CCCCC4)ccc32)cc1

nearest known ligand 0.85

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 20/20 0.85

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
SCHEMBL3535065 0.92 BDKRB1 (1.00) BDKRB1
SCHEMBL3537648 0.92 BDKRB1 (1.00) BDKRB1
SCHEMBL3536543 0.92 BDKRB1 (1.00) BDKRB1
SCHEMBL3535296 0.91 BDKRB1 (0.86) BDKRB1
SCHEMBL3539159 0.91 BDKRB1 (0.86) BDKRB1
SCHEMBL3533502 0.89 BDKRB1 (0.93) BDKRB1
SCHEMBL3533275 0.88 BDKRB1 (0.82) BDKRB1
SCHEMBL3541386 0.87 BDKRB1 (0.90) BDKRB1
SCHEMBL3530784 0.87 BDKRB1 (0.80) BDKRB1
SCHEMBL3535432 0.86 BDKRB1 (0.78) BDKRB1

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-7662811-B2 N-(((5R)-5-((1-methylethyl)amino)-5,6,7,8-tetrahydro-2-naphthalenyl)methyl)-2-((2R)-1-((4-methylphenyl)sulfonyl)-3-oxo-1,2,3,4-tetrahydro-2-pyrazinyl)acetamide; for treatment of pain and diseases, such as inflammation mediated diseases AMGEN INC. (US) 2010-02-16 US claimed