SCHEMBL2951065

SCHEMBL2951065

CCN(NC(=O)c1cc(Cl)c[n+]([O-])c1)C(=O)N(C)C1=CC=C(c2cc(Cl)ccc2-c2noc(C)n2)CC1(F)F

nearest known ligand 0.35

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 6/20 0.35

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
SCHEMBL2951068 0.86 BDKRB1 (0.43) BDKRB1
SCHEMBL3022682 0.74 BDKRB1 (0.53) BDKRB1
SCHEMBL3022686 0.67 BDKRB1 (0.72) BDKRB1
SCHEMBL2944571 0.59 BDKRB1 (0.55) BDKRB1
SCHEMBL3032923 0.58 BDKRB1 (0.58) BDKRB1
SCHEMBL3020770 0.57 BDKRB1 (0.55) BDKRB1
SCHEMBL14363632 0.54 RAB9A (0.51)
SCHEMBL14580440 0.54 RAB9A (0.49)
SCHEMBL14363629 0.54 CASP3 (0.49)
SCHEMBL14363614 0.53 HSP90AA1 (0.49)

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-2396301-A2 SMALL MOLECULE BRADYKININ B1 RECEPTOR ANTAGONISTS Jerini AG (DE) 2011-12-21 EP disclosed
WO-2010091876-A2 SMALL MOLECULE BRADYKININ B1 RECEPTOR ANTAGONISTS JERINI AG (DE) 2010-08-19 WO disclosed