SCHEMBL3027503

SCHEMBL3027503

Cc1nc(-c2c(F)cc(Cl)cc2-c2cnc(C(C)NC(=O)N(C)O)c(F)c2)no1

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
SCHEMBL13213768 1.00 BDKRB1 (1.00) BDKRB1
SCHEMBL3014601 0.94 BDKRB1 (1.00) BDKRB1
SCHEMBL3124214 0.90 BDKRB1 (0.81) BDKRB1
SCHEMBL27913122 0.89 BDKRB1 (0.80) BDKRB1
SCHEMBL9947781 0.89 BDKRB1 (0.80) BDKRB1
SCHEMBL13214243 0.88 BDKRB1 (1.00) BDKRB1
SCHEMBL13213796 0.88 BDKRB1 (0.85) BDKRB1
SCHEMBL3022423 0.88 BDKRB1 (0.78) BDKRB1
SCHEMBL3029662 0.88 BDKRB1 (0.78) BDKRB1
SCHEMBL13213763 0.85 BDKRB1 (0.73) 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