SCHEMBL186557

SCHEMBL186557

O=C(N[C@@]1(C(=O)NCc2ccc(Nc3ccccc3C(F)(F)F)cc2)CCOC1)Oc1cnc(O)nc1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FAAH O00519 4/20 0.37
TRPV1 Q8NER1 3/20 0.37
CTDSP1 Q9GZU7 1/20 0.34
AURKA O14965 1/20 0.34
BDKRB1 P46663 1/20 0.34
PTK2 Q05397 2/20 0.33
SCD O00767 3/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
BTK Q06187 1/20 0.33
CNR2 P34972 1/20 0.33
STAT6 P42226 1/20 0.32
HTT P42858 1/20 0.32
RECQL P46063 1/20 0.32

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
SCHEMBL185703 0.93 FAAH (0.37) FAAHTRPV1CTDSP1AURKABDKRB1
SCHEMBL186660 0.92 CNR2 (0.36) FAAHTRPV1CTDSP1BDKRB1PTK2
SCHEMBL185009 0.92 BTK (0.37) FAAHTRPV1CTDSP1AURKABDKRB1
SCHEMBL185942 0.91 FAAH (0.38) FAAHTRPV1CTDSP1AURKABDKRB1
SCHEMBL2804848 0.88 BDKRB1 (0.38) CTDSP1AURKABDKRB1PTK2SCD
SCHEMBL185912 0.86 AURKA (0.36) FAAHTRPV1CTDSP1AURKABDKRB1
SCHEMBL186353 0.86 NAMPT (0.37) FAAHTRPV1CTDSP1AURKABDKRB1
SCHEMBL14856582 0.86 TRPV1 (0.35) FAAHTRPV1CTDSP1BDKRB1PTK2
SCHEMBL185974 0.85 CTDSP1 (0.34) FAAHTRPV1CTDSP1AURKABDKRB1
SCHEMBL185828 0.85 CTDSP1 (0.34) FAAHTRPV1CTDSP1AURKAPTK2

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