SCHEMBL754425

SCHEMBL754425

COc1ccc(Oc2ccc(CNC(=O)C3(NC(=O)Oc4cncnc4)CC3)cc2F)cc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 1/20 0.44
BDKRB1 P46663 2/20 0.42
ROCK2 O75116 1/20 0.38
FAAH O00519 4/20 0.38
TRPV1 Q8NER1 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
CARM1 Q86X55 2/20 0.37
PRMT6 Q96LA8 2/20 0.37
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CHRM4 P08173 2/20 0.36
ERCC1 P07992 1/20 0.36
ERCC4 Q92889 1/20 0.36
VNN1 O95497 1/20 0.36

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
SCHEMBL2547691 0.90 BDKRB1 (0.53) PPARDBDKRB1ROCK2CHRM4
SCHEMBL756132 0.86 BDKRB1 (0.39) PPARDBDKRB1FAAHTRPV1CARM1
SCHEMBL12262806 0.85 BDKRB1 (0.55) PPARDBDKRB1L3MBTL1ALDH1A1
SCHEMBL755280 0.85 BDKRB1 (0.43) BDKRB1FAAHTRPV1CHRM4
SCHEMBL12239072 0.83 BDKRB1 (0.51) PPARDBDKRB1CARM1PRMT6SMN1; SMN2
SCHEMBL14856425 0.82 BDKRB1 (0.48) BDKRB1ROCK2FAAHTRPV1L3MBTL1
SCHEMBL2788425 0.81 EPHX2 (0.41) BDKRB1FAAHTRPV1L3MBTL1ALDH1A1
SCHEMBL10121264 0.81 BDKRB1 (0.49) PPARDBDKRB1L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL765537 0.81 BDKRB1 (0.54) PPARDBDKRB1CARM1PRMT6SMN1; SMN2
SCHEMBL765652 0.81 BDKRB1 (0.49) PPARDBDKRB1CARM1PRMT6ALDH1A1

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