SCHEMBL764454

SCHEMBL764454

NOc1ccc(Oc2ccc(CNC(=O)C3(NC(=O)c4ccc[nH]c4=O)CC3)cc2)c(C(F)(F)F)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 2/20 0.39
MAPK14 Q16539 1/20 0.34
PTGER4 P35408 2/20 0.34
PTGER2 P43116 1/20 0.34
SCN8A Q9UQD0 5/20 0.33
SCN10A Q9Y5Y9 5/20 0.33
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PSMB11 A5LHX3 1/20 0.32
PSMA7 O14818 1/20 0.32
PSMB1 P20618 1/20 0.32
PSMA1 P25786 1/20 0.32
PSMA2 P25787 1/20 0.32
PSMA3 P25788 1/20 0.32
PSMA4 P25789 1/20 0.32
PSMB8 P28062 1/20 0.32

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
SCHEMBL765828 0.93 BDKRB1 (0.42) BDKRB1SCN8ASCN10AGAAL3MBTL1
SCHEMBL10121111 0.82 BDKRB1 (0.37) BDKRB1MAPK14PTGER4PTGER2ALDH1A1
SCHEMBL765551 0.79 BDKRB1 (0.35) BDKRB1MAPK14PTGER4PTGER2ALDH1A1
SCHEMBL764476 0.79 BDKRB1 (0.35) BDKRB1MAPK14PTGER4PTGER2ALDH1A1
SCHEMBL764433 0.79 BDKRB1 (0.38) BDKRB1MAPK14
SCHEMBL10121216 0.79 BDKRB1 (0.41) BDKRB1MAPK14PTGER4PTGER2HTT
SCHEMBL765844 0.78 BDKRB1 (0.42) BDKRB1MAPK14PTGER4PTGER2
SCHEMBL765818 0.78 BDKRB1 (0.41) BDKRB1MAPK14PTGER4PTGER2HTT
SCHEMBL10121214 0.78 BDKRB1 (0.40) BDKRB1MAPK14PTGER4PTGER2
SCHEMBL10121303 0.77 BDKRB1 (0.36) BDKRB1MAPK14

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