SCHEMBL14865339

SCHEMBL14865339

O=C(NC1(C(=O)NCc2ncc(Nc3c(F)cccc3C(F)(F)F)cc2F)CC1)c1ccn[nH]1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.36
AR P10275 1/20 0.33
PTGS2 P35354 1/20 0.33
CD38 P28907 2/20 0.32
AURKA O14965 1/20 0.32
AURKB Q96GD4 1/20 0.32
INCENP Q9NQS7 1/20 0.32
BDKRB1 P46663 5/20 0.32
CNR1 P21554 1/20 0.32
SLC40A1 Q9NP59 2/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
LMNA P02545 1/20 0.32
ALOX15 P16050 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
NTRK1 P04629 1/20 0.31
JAK1 P23458 2/20 0.31
JAK3 P52333 2/20 0.31
P2RX7 Q99572 2/20 0.31

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
SCHEMBL2807818 0.86 PTGS2 (0.39) CNR2PTGS2BDKRB1CNR1NTRK1
SCHEMBL2806932 0.85 BDKRB1 (0.37) CNR2ARPTGS2BDKRB1CNR1
SCHEMBL2807315 0.85 CNR1 (0.36) CNR2PTGS2BDKRB1CNR1SLC40A1
SCHEMBL2806879 0.85 BDKRB1 (0.41) CNR2ARPTGS2BDKRB1CNR1
SCHEMBL2805268 0.84 BDKRB1 (0.35) CNR2PTGS2BDKRB1CNR1SLC40A1
SCHEMBL2810740 0.84 BDKRB1 (0.37) CNR2PTGS2BDKRB1CNR1NTRK1
SCHEMBL2805645 0.83 CNR2 (0.34) CNR2PTGS2BDKRB1CNR1SLC40A1
SCHEMBL2808456 0.83 CNR1 (0.37) CNR2ARPTGS2CD38BDKRB1
SCHEMBL2808286 0.83 BDKRB1 (0.36) CNR2BDKRB1CNR1JAK1JAK3
SCHEMBL2806933 0.82 BDKRB1 (0.42) CNR2PTGS2BDKRB1CNR1JAK1

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-2401256-B1 Compounds as bradykinin B1 antagonists BOEHRINGER INGELHEIM INT (DE) 2013-04-17 EP disclosed