SCHEMBL186530

SCHEMBL186530

Cc1ncncc1OC(=O)N[C@@]1(C(=O)NCc2ccc(Nc3ccccc3C(F)(F)F)cc2)CCOC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.34
BDKRB1 P46663 2/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.32
AURKA O14965 1/20 0.32
FAAH O00519 1/20 0.32
MAPK9 P45984 1/20 0.32
MAPK10 P53779 1/20 0.32
PTK2 Q05397 1/20 0.32
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
SCD O00767 2/20 0.31
NAMPT P43490 2/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
ITGB1 P05556 1/20 0.31
ITGA4 P13612 1/20 0.31
BTK Q06187 1/20 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
SCHEMBL185038 0.90 AURKA (0.33) TRPV1BDKRB1CTDSP1AURKAFAAH
SCHEMBL185942 0.88 FAAH (0.38) TRPV1BDKRB1CTDSP1AURKAFAAH
SCHEMBL2806712 0.87 BDKRB1 (0.38) TRPV1BDKRB1CTDSP1MAPK9MAPK10
SCHEMBL185703 0.86 FAAH (0.37) TRPV1BDKRB1CTDSP1AURKAFAAH
SCHEMBL185912 0.84 AURKA (0.36) TRPV1BDKRB1CTDSP1AURKAFAAH
SCHEMBL186557 0.84 FAAH (0.37) TRPV1BDKRB1CTDSP1AURKAFAAH
SCHEMBL186353 0.84 NAMPT (0.37) TRPV1BDKRB1CTDSP1AURKAFAAH
SCHEMBL185009 0.84 BTK (0.37) TRPV1BDKRB1CTDSP1AURKAFAAH
SCHEMBL186660 0.84 CNR2 (0.36) TRPV1BDKRB1CTDSP1FAAHPTK2
SCHEMBL185974 0.83 CTDSP1 (0.34) TRPV1BDKRB1CTDSP1AURKAFAAH

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 3 patents. 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
EP-2401256-A1 COMPOUNDS AS BRADYKININ B1 ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2012-01-04 EP disclosed
WO-2010097372-A1 COMPOUNDS AS BRADYKININ B1 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-02 WO disclosed