SCHEMBL14865382

SCHEMBL14865382

O=C(NC1(C(=O)NCc2ncc(Nc3c(F)cccc3C(F)(F)CF)cc2F)CC1)c1cncs1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.36
CD38 P28907 5/20 0.33
KMT2A Q03164 2/20 0.32
IDO1 P14902 1/20 0.32
TDO2 P48775 1/20 0.32
BDKRB1 P46663 4/20 0.32
PARP1 P09874 1/20 0.30
AR P10275 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
SCHEMBL2808456 0.93 CNR1 (0.37) CNR1CD38KMT2ABDKRB1PARP1
SCHEMBL185774 0.82 CD38 (0.34) CNR1CD38BDKRB1
SCHEMBL2806879 0.80 BDKRB1 (0.41) CNR1BDKRB1AR
SCHEMBL2807818 0.80 PTGS2 (0.39) CNR1BDKRB1
SCHEMBL2810740 0.78 BDKRB1 (0.37) CNR1BDKRB1
SCHEMBL2811676 0.78 BDKRB1 (0.40) CNR1BDKRB1
SCHEMBL2806933 0.78 BDKRB1 (0.42) CNR1BDKRB1
SCHEMBL2807315 0.78 CNR1 (0.36) CNR1BDKRB1
SCHEMBL2806932 0.78 BDKRB1 (0.37) CNR1BDKRB1AR
SCHEMBL2805645 0.78 CNR2 (0.34) CNR1BDKRB1

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