SCHEMBL185343

SCHEMBL185343

C[C@H](NC(=O)C1(NC(=O)Oc2cncnc2)CC1)c1ncc(Nc2ccc(Cl)cc2C(F)(F)F)cc1F

nearest known ligand 0.44

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 20/20 0.44

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
SCHEMBL14856788 1.00 BDKRB1 (0.44) BDKRB1
SCHEMBL14856663 1.00 BDKRB1 (0.44) BDKRB1
SCHEMBL14856790 0.91 BDKRB1 (0.40) BDKRB1
SCHEMBL14856785 0.91 BDKRB1 (0.40) BDKRB1
SCHEMBL186548 0.91 BDKRB1 (0.40) BDKRB1
SCHEMBL2809127 0.91 BDKRB1 (0.49) BDKRB1
SCHEMBL2810248 0.91 BDKRB1 (0.49) BDKRB1
SCHEMBL2808711 0.91 BDKRB1 (0.49) BDKRB1
SCHEMBL14856857 0.85 BDKRB1 (0.44) BDKRB1
SCHEMBL185811 0.82 BDKRB1 (0.37) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2401256-B1 Compounds as bradykinin B1 antagonists BOEHRINGER INGELHEIM INT (DE) 2013-04-17 EP disclosed
EP-2401256-A1 COMPOUNDS AS BRADYKININ B1 ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2012-01-04 EP disclosed
WO-2010097372-A1 COMPOUNDS AS BRADYKININ B1 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-02 WO disclosed