SCHEMBL4058616

SCHEMBL4058616

Cc1ccc2cccc(OCc3c(Cl)ccc(S(=O)(=O)O)c3Cl)c2n1

nearest known ligand 0.65

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
BDKRB2 P30411 20/20 0.65

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
SCHEMBL7807760 0.89 BDKRB2 (0.65) BDKRB2
SCHEMBL7807566 0.87 BDKRB2 (0.68) BDKRB2
SCHEMBL7803014 0.85 BDKRB2 (0.73) BDKRB2
SCHEMBL7814431 0.85 BDKRB2 (0.59) BDKRB2
SCHEMBL6578298 0.85 BDKRB2 (0.60) BDKRB2
SCHEMBL7814449 0.85 RORC (0.70) BDKRB2
SCHEMBL4065387 0.84 BDKRB2 (0.63) BDKRB2
SCHEMBL8364184 0.84 BDKRB2 (0.67) BDKRB2
SCHEMBL4059644 0.83 BDKRB2 (0.81) BDKRB2
SCHEMBL8798526 0.83 BDKRB2 (0.56) 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 2 patents. 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
EP-1513531-B1 BASIC NON-PEPTIDE BRADYKININ ANTAGONISTS AND PHARMACEUTICAL COMPOSITIONS THEREFROM MENARINI RICERCHE SPA (IT) 2009-10-21 EP disclosed