SCHEMBL753444

SCHEMBL753444

COc1ccc(Oc2ccc(CNC(=O)C3(NC(=O)Oc4cccc(C)n4)CC3)cc2)c(C(F)(F)F)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.38
POLB P06746 1/20 0.37
PTPN7 P35236 2/20 0.37
DUSP3 P51452 2/20 0.37
BDKRB1 P46663 1/20 0.37
PDGFRB P09619 2/20 0.36
FLT4 P35916 2/20 0.36
MAPT P10636 1/20 0.36
FLT3 P36888 1/20 0.36
BTK Q06187 1/20 0.36
EPHX2 P34913 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
FAAH O00519 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
CD38 P28907 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
SCHEMBL10121241 0.87 BDKRB1 (0.41) P2RX7POLBPTPN7DUSP3BDKRB1
SCHEMBL764453 0.84 BDKRB1 (0.41) P2RX7POLBBDKRB1PDGFRBFLT4
SCHEMBL765183 0.83 BDKRB1 (0.40) P2RX7POLBBDKRB1MAPTEPHX2
SCHEMBL12238932 0.82 L3MBTL1 (0.43) P2RX7POLBPTPN7DUSP3BDKRB1
SCHEMBL765666 0.81 BDKRB1 (0.43) P2RX7POLBPTPN7DUSP3BDKRB1
SCHEMBL764436 0.81 BDKRB1 (0.41) P2RX7POLBPTPN7DUSP3BDKRB1
SCHEMBL10121227 0.80 EPHX2 (0.44) P2RX7PTPN7DUSP3EPHX2L3MBTL1
SCHEMBL764477 0.80 L3MBTL1 (0.41) P2RX7POLBPTPN7DUSP3BDKRB1
SCHEMBL2788425 0.80 EPHX2 (0.41) P2RX7POLBPTPN7DUSP3BDKRB1
SCHEMBL12238931 0.80 EPHX2 (0.53) PTPN7DUSP3BDKRB1EPHX2NPC1

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