SCHEMBL764433

SCHEMBL764433

NOc1ccc(Oc2ccc(CNC(=O)C3(NC(=O)c4cccc(O)n4)CC3)cc2)c(C(F)(F)F)c1

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 2/20 0.38
SUCNR1 Q9BXA5 1/20 0.36
SCN9A Q15858 13/20 0.35
MAPK14 Q16539 1/20 0.35

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
SCHEMBL764436 0.93 BDKRB1 (0.41) BDKRB1
SCHEMBL10121303 0.89 BDKRB1 (0.36) BDKRB1SUCNR1SCN9AMAPK14
SCHEMBL764453 0.84 BDKRB1 (0.41) BDKRB1
SCHEMBL10121241 0.84 BDKRB1 (0.41) BDKRB1
SCHEMBL765183 0.84 BDKRB1 (0.40) BDKRB1
SCHEMBL10121111 0.82 BDKRB1 (0.37) BDKRB1MAPK14
SCHEMBL10121216 0.81 BDKRB1 (0.41) BDKRB1SUCNR1MAPK14
SCHEMBL765844 0.81 BDKRB1 (0.42) BDKRB1SUCNR1MAPK14
SCHEMBL765551 0.80 BDKRB1 (0.35) BDKRB1MAPK14
SCHEMBL764476 0.80 BDKRB1 (0.35) BDKRB1SCN9AMAPK14

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2188254-B1 NOVEL BRADYKININ B1-ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2012-03-21 EP disclosed