SCHEMBL2951273

SCHEMBL2951273

CCc1ccccc1-c1ccc(CNC(=O)N(CC)NC(=O)O)c(F)c1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 18/20 0.47
FFAR1 O14842 1/20 0.44
FFAR4 Q5NUL3 1/20 0.44
LTB4R2 Q9NPC1 1/20 0.40

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
SCHEMBL2940450 0.86 BDKRB1 (0.68) BDKRB1
SCHEMBL13213790 0.85 BDKRB1 (0.47) BDKRB1
SCHEMBL2942746 0.83 BDKRB1 (0.49) BDKRB1FFAR1FFAR4
SCHEMBL2951261 0.82 BDKRB1 (0.41) BDKRB1
SCHEMBL2946397 0.80 DGAT2 (0.44) BDKRB1
SCHEMBL13214030 0.80 BDKRB1 (0.69) BDKRB1
SCHEMBL13214217 0.79 DGAT2 (0.40) BDKRB1FFAR1FFAR4
SCHEMBL2951268 0.78 ALOX5AP (0.39) BDKRB1FFAR1FFAR4LTB4R2
SCHEMBL2949484 0.78 BDKRB1 (0.74) BDKRB1
SCHEMBL13213946 0.76 BDKRB1 (0.57) 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