SCHEMBL2944727

SCHEMBL2944727

CCNNC(=O)NCc1ccc(-c2cccc(F)c2C(=O)O)cc1F

nearest known ligand 0.58

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 20/20 0.58
CNR1 P21554 1/20 0.48

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
SCHEMBL2950599 0.89 BDKRB1 (0.74) BDKRB1CNR1
SCHEMBL2944726 0.80 BDKRB1 (0.56) BDKRB1CNR1
SCHEMBL2949488 0.78 BDKRB1 (0.71) BDKRB1CNR1
SCHEMBL13213721 0.77 BDKRB1 (0.82) BDKRB1CNR1
SCHEMBL2943307 0.76 FFAR1 (0.45) BDKRB1CNR1
Hydrochloric Acid SCHEMBL2943098 0.75 FFAR1 (0.45) BDKRB1CNR1
SCHEMBL5929429 0.72 BDKRB1 (0.73) BDKRB1CNR1
SCHEMBL2944724 0.71 BDKRB1 (0.46) BDKRB1
SCHEMBL2946704 0.70 BDKRB1 (0.49) BDKRB1
SCHEMBL5929278 0.70 BDKRB1 (0.76) BDKRB1CNR1

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