SCHEMBL2940943

SCHEMBL2940943

CCN(CCc1ncc(-c2cc(Cl)cc(F)c2-c2cccs2)cc1F)C(=O)NNC(=O)C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 18/20 0.40
GRIN2B Q13224 1/20 0.33

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
SCHEMBL2946726 0.88 BDKRB1 (0.42) BDKRB1GRIN2B
SCHEMBL2950173 0.76 BDKRB1 (0.45) BDKRB1
SCHEMBL13213911 0.74 BDKRB1 (0.69) BDKRB1
SCHEMBL2941734 0.74 HIF1A (0.35) BDKRB1GRIN2B
SCHEMBL2950422 0.74 HIF1A (0.41) BDKRB1
SCHEMBL2951908 0.74 BDKRB1 (0.48) BDKRB1GRIN2B
SCHEMBL2950419 0.69 BDKRB1 (0.38) BDKRB1GRIN2B
SCHEMBL2950171 0.68 BDKRB1 (0.39) BDKRB1GRIN2B
SCHEMBL2946447 0.67 BDKRB1 (0.51) BDKRB1
Hydrochloric Acid SCHEMBL2944656 0.64 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