SCHEMBL3028896

SCHEMBL3028896

Cc1nc(-c2c(F)cc(Cl)cc2-c2ccc(CN)nc2)no1

nearest known ligand 0.55

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 20/20 0.55

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
SCHEMBL3024567 0.84 BDKRB1 (0.64) BDKRB1
SCHEMBL3024487 0.82 BDKRB1 (0.64) BDKRB1
SCHEMBL2944102 0.81 BDKRB1 (0.63) BDKRB1
SCHEMBL3014511 0.80 BDKRB1 (0.62) BDKRB1
SCHEMBL23291914 0.79 CA12 (0.51)
SCHEMBL12477168 0.78 BDKRB1 (0.67) BDKRB1
SCHEMBL2944569 0.77 BDKRB1 (0.62) BDKRB1
SCHEMBL2944100 0.76 BDKRB1 (0.65) BDKRB1
SCHEMBL3025468 0.76 BDKRB1 (0.65) BDKRB1
SCHEMBL9947976 0.76 BDKRB1 (0.60) 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 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