SCHEMBL3534823

SCHEMBL3534823

O=C1NC=CN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1CC(=O)N1CCC[C@@H]2CCCC[C@@H]21

nearest known ligand 0.54

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 19/20 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
SCHEMBL3533395 1.00 BDKRB1 (0.54) BDKRB1
SCHEMBL3535831 1.00 BDKRB1 (0.54) BDKRB1
SCHEMBL3536596 1.00 BDKRB1 (0.54) BDKRB1
SCHEMBL3539276 0.88 BDKRB1 (0.56) BDKRB1
SCHEMBL3537441 0.88 BDKRB1 (0.56) BDKRB1
SCHEMBL3534319 0.87 BDKRB1 (0.53) BDKRB1
SCHEMBL3538943 0.87 BDKRB1 (0.53) BDKRB1
SCHEMBL3533778 0.85 BDKRB1 (0.52) BDKRB1
SCHEMBL3539305 0.85 BDKRB1 (0.52) BDKRB1
SCHEMBL3534638 0.85 BDKRB1 (0.54) 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 3 patents. 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
EP-1817294-A1 1,2,3,4-TETRAHYDROPYRAZIN-2-YL ACETAMIDES AND THEIR USE AS BRADYKININ ANTAGONISTS FOR THE TREATMENT OF INFLAMMATION RELATED DISORDERS Amgen Inc. (US) 2007-08-15 EP claimed
WO-2006019975-A1 1,2,3,4-TETRAHYDROPYRAZIN-2-YL ACETAMIDES AND THEIR USE AS BRADYKININ ANTAGONISTS FOR THE TREATMENT OF INFLAMMATION RELATED DISORDERS AMGEN INC. (US) 2006-02-23 WO claimed