SCHEMBL764476

SCHEMBL764476

NOc1ccc(Oc2ccc(CNC(=O)C3(NC(=O)CC(=O)NCF)CC3)cc2)c(C(F)(F)F)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 2/20 0.35
MAPK14 Q16539 1/20 0.33
PLA2G7 Q13093 1/20 0.33
PTGER4 P35408 2/20 0.33
PTGER2 P43116 1/20 0.33
NR3C1 P04150 1/20 0.32
CARM1 Q86X55 2/20 0.32
PRMT6 Q96LA8 2/20 0.32
SCN9A Q15858 1/20 0.31
AR P10275 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
HTT P42858 1/20 0.30
RECQL P46063 1/20 0.30
POLB P06746 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TP53 P04637 1/20 0.30
FFAR1 O14842 2/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL10121111 0.90 BDKRB1 (0.37) BDKRB1MAPK14PLA2G7PTGER4PTGER2
SCHEMBL765551 0.89 BDKRB1 (0.35) BDKRB1MAPK14PLA2G7PTGER4PTGER2
SCHEMBL10121349 0.83 L3MBTL1 (0.40) BDKRB1CARM1PRMT6ARPOLB
SCHEMBL765557 0.83 L3MBTL1 (0.40) BDKRB1ARPOLBALDH1A1TP53
SCHEMBL10121393 0.81 L3MBTL1 (0.41) BDKRB1CYP2C19POLBALDH1A1TP53
SCHEMBL758301 0.81 EPHX2 (0.41) POLBALDH1A1TP53L3MBTL1
SCHEMBL10121216 0.81 BDKRB1 (0.41) BDKRB1MAPK14PLA2G7PTGER4PTGER2
SCHEMBL765844 0.81 BDKRB1 (0.42) BDKRB1MAPK14PTGER4PTGER2CYP3A4
SCHEMBL764477 0.80 L3MBTL1 (0.41) BDKRB1ARPOLBALDH1A1TP53
SCHEMBL10121227 0.80 EPHX2 (0.44) ALDH1A1TP53L3MBTL1

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