SCHEMBL3018282

SCHEMBL3018282

CC(N)c1ncc(-c2cc(Cl)cc(F)c2-n2cc(F)cn2)cc1F

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 18/20 0.34
GRM5 P41594 1/20 0.34
FFAR4 Q5NUL3 1/20 0.31

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
SCHEMBL3021373 0.82 BDKRB1 (0.47) BDKRB1
SCHEMBL13214029 0.81 BDKRB1 (0.44) BDKRB1
SCHEMBL13213909 0.79 BDKRB1 (0.42) BDKRB1
SCHEMBL3031581 0.79 BDKRB1 (0.48) BDKRB1
SCHEMBL2948500 0.77 MET (0.42) BDKRB1
SCHEMBL13213908 0.77 BDKRB1 (0.46) BDKRB1
SCHEMBL13214038 0.71 BDKRB1 (0.43) BDKRB1
SCHEMBL17823722 0.71 S1PR3 (0.42)
SCHEMBL21725703 0.71 S1PR3 (0.42)
SCHEMBL29441073 0.71 S1PR3 (0.42)

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