SCHEMBL3022665

SCHEMBL3022665

CCN(NC(=O)C(F)(F)F)C(=O)N[C@H](C)c1ncc(-c2cc(Cl)cc(Cl)c2OCC(F)F)cc1F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 20/20 1.00

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
SCHEMBL3022667 1.00 BDKRB1 (1.00) BDKRB1
SCHEMBL13213842 0.92 BDKRB1 (0.85) BDKRB1
SCHEMBL3027123 0.91 BDKRB1 (0.83) BDKRB1
SCHEMBL3027122 0.91 BDKRB1 (0.83) BDKRB1
SCHEMBL13214209 0.90 BDKRB1 (0.82) BDKRB1
SCHEMBL3021644 0.85 BDKRB1 (0.73) BDKRB1
SCHEMBL3024012 0.85 BDKRB1 (0.73) BDKRB1
SCHEMBL13214059 0.85 BDKRB1 (0.73) BDKRB1
SCHEMBL13213880 0.84 BDKRB1 (0.72) BDKRB1
SCHEMBL9947842 0.83 BDKRB1 (0.70) 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