SCHEMBL2943468

SCHEMBL2943468

Cn1nnc(-c2c(Cl)cc(Cl)cc2-c2cnc(CCNC(=O)OC(C)(C)C)c(F)c2)n1

nearest known ligand 0.57

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 20/20 0.57

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
SCHEMBL2940458 0.90 BDKRB1 (0.57) BDKRB1
SCHEMBL2942732 0.85 BDKRB1 (0.75) BDKRB1
SCHEMBL2947666 0.83 BDKRB1 (0.62) BDKRB1
SCHEMBL2943465 0.82 BDKRB1 (0.67) BDKRB1
SCHEMBL12477012 0.82 BDKRB1 (0.71) BDKRB1
SCHEMBL12476552 0.81 BDKRB1 (0.52) BDKRB1
SCHEMBL2947184 0.80 BDKRB1 (0.57) BDKRB1
SCHEMBL13213929 0.79 BDKRB1 (0.88) BDKRB1
SCHEMBL2940456 0.77 BDKRB1 (0.56) BDKRB1
Hydrochloric Acid SCHEMBL2944656 0.75 BDKRB1 (0.59) 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