SCHEMBL4960208

SCHEMBL4960208

Cn1nnc(-c2c(F)cc(Cl)cc2-c2cnc(CNC(=O)O)c(F)c2)n1

nearest known ligand 0.82

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 20/20 0.82

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
SCHEMBL13213913 0.90 BDKRB1 (1.00) BDKRB1
SCHEMBL2943453 0.89 BDKRB1 (1.00) BDKRB1
SCHEMBL2942732 0.87 BDKRB1 (0.75) BDKRB1
SCHEMBL4959064 0.86 BDKRB1 (0.75) BDKRB1
SCHEMBL13214200 0.86 BDKRB1 (0.82) BDKRB1
SCHEMBL12477012 0.85 BDKRB1 (0.71) BDKRB1
SCHEMBL3621477 0.84 BDKRB1 (0.73) BDKRB1
SCHEMBL12476815 0.84 BDKRB1 (0.70) BDKRB1
SCHEMBL13213929 0.84 BDKRB1 (0.88) BDKRB1
SCHEMBL13214202 0.84 BDKRB1 (0.88) 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-1893579-B1 1-HYDROXYCYCLOALKANECARBOXAMIDE DERIVATIVES AS BRADYKININ ANTAGONISTS MERCK SHARP & DOHME (US) 2013-05-01 EP disclosed
EP-1893579-A1 1-HYDROXYCYCLOALKANECARBOXAMIDE DERIVATIVES AS BRADYKININ ANTAGONISTS Merck & Co., Inc. (US) 2008-03-05 EP disclosed
WO-2006132837-A1 l-HYDROXYCYCLOALKANECARBOXAMIDE DERIVATIVES AS BRADYKININ ANTAGONISTS MERCK & CO., INC. (US) 2006-12-14 WO disclosed