SCHEMBL5259808

SCHEMBL5259808

CC(C)N(C)Cc1ccc2c(c1)OCCC2n1cc(CC2C(=O)NC=CN2S(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)nn1

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 11/20 0.34
SCN9A Q15858 2/20 0.32
TRPV4 Q9HBA0 1/20 0.30

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
SCHEMBL4337387 0.92 BDKRB1 (0.34) BDKRB1
SCHEMBL4336016 0.91 BDKRB1 (0.38) BDKRB1
SCHEMBL4338055 0.91 BDKRB1 (0.37) BDKRB1
SCHEMBL4342940 0.90 BDKRB1 (0.38) BDKRB1
SCHEMBL4342342 0.90 BDKRB1 (0.37) BDKRB1
SCHEMBL4344359 0.90 BDKRB1 (0.37) BDKRB1
SCHEMBL4342031 0.90 BDKRB1 (0.37) BDKRB1
SCHEMBL4349175 0.89 BDKRB1 (0.39) BDKRB1
SCHEMBL4335980 0.89 BDKRB1 (0.36) BDKRB1
SCHEMBL4341974 0.88 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1817306-A1 TRIAZOLES AND THEIR USE AS BRADYKININ B1 RECEPTOR ANTAGONISTS Amgen, Inc (US) 2007-08-15 EP claimed
WO-2006044355-A1 TRIAZOLES AND THEIR USE AS BRADYKININ B1 RECEPTOR ANTAGONISTS AMGEN INC. (US) 2006-04-27 WO claimed
EP-1817306-A1 TRIAZOLES AND THEIR USE AS BRADYKININ B1 RECEPTOR ANTAGONISTS Amgen, Inc (US) 2007-08-15 EP disclosed
WO-2006044355-A1 TRIAZOLES AND THEIR USE AS BRADYKININ B1 RECEPTOR ANTAGONISTS AMGEN INC. (US) 2006-04-27 WO disclosed