SCHEMBL2948033

SCHEMBL2948033

COC(=O)c1c(F)cccc1-c1ccc(CNC(=O)N(N)C(C)I)c(F)c1

nearest known ligand 0.69

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 20/20 0.69

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
Hydrochloric Acid SCHEMBL2943180 0.99 BDKRB1 (0.68) BDKRB1
SCHEMBL2950597 0.85 BDKRB1 (0.72) BDKRB1
SCHEMBL2952519 0.80 BDKRB1 (0.57) BDKRB1
SCHEMBL2940450 0.79 BDKRB1 (0.68) BDKRB1
SCHEMBL2949484 0.79 BDKRB1 (0.74) BDKRB1
SCHEMBL6109422 0.78 BDKRB1 (0.72) BDKRB1
SCHEMBL2940473 0.78 BDKRB1 (0.72) BDKRB1
SCHEMBL5929278 0.78 BDKRB1 (0.76) BDKRB1
SCHEMBL5781971 0.77 BDKRB1 (0.80) BDKRB1
SCHEMBL13213721 0.77 BDKRB1 (0.82) 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