SCHEMBL4238013

SCHEMBL4238013

CNCCCCCNCC1CCN(C(=O)C2(NS(=O)(=O)c3ccc(Cl)c(COc4cccc5c(C)cc(C)nc45)c3Cl)CCCC2)CC1

nearest known ligand 0.73

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
BDKRB2 P30411 20/20 0.73

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
Trifluoroacetic Acid SCHEMBL4061583 0.96 BDKRB2 (0.74) BDKRB2
SCHEMBL3795173 0.95 BDKRB2 (0.76) BDKRB2
Trifluoroacetic Acid SCHEMBL4059696 0.91 BDKRB2 (0.74) BDKRB2
Triaziquone SCHEMBL4061580 0.90 BDKRB2 (0.66) BDKRB2
SCHEMBL4061695 0.85 BDKRB2 (0.79) BDKRB2
SCHEMBL4066922 0.85 BDKRB2 (0.81) BDKRB2
SCHEMBL4235181 0.85 BDKRB2 (0.72) BDKRB2
SCHEMBL4070466 0.85 BDKRB2 (0.74) BDKRB2
Triaziquone SCHEMBL4059693 0.85 BDKRB2 (0.66) BDKRB2
SCHEMBL4058231 0.84 BDKRB2 (0.78) BDKRB2

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
EP-1513531-B1 BASIC NON-PEPTIDE BRADYKININ ANTAGONISTS AND PHARMACEUTICAL COMPOSITIONS THEREFROM MENARINI RICERCHE SPA (IT) 2009-10-21 EP claimed