SCHEMBL196899

SCHEMBL196899

O=C(NC1(C(=O)NCc2ncc(Nc3c(F)cccc3C(F)(F)F)cc2F)CC1)Oc1ccno1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 7/20 0.33
CNR1 P21554 1/20 0.33
FAAH O00519 5/20 0.33
TRPV1 Q8NER1 4/20 0.33
PTGS2 P35354 1/20 0.32
SLC40A1 Q9NP59 2/20 0.31
CNR2 P34972 1/20 0.31
JAK1 P23458 1/20 0.30
JAK3 P52333 1/20 0.30
P2RX7 Q99572 3/20 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
SCHEMBL2806932 0.87 BDKRB1 (0.37) BDKRB1CNR1PTGS2SLC40A1CNR2
SCHEMBL14856851 0.86 FAAH (0.34) BDKRB1CNR1FAAHTRPV1PTGS2
SCHEMBL14856605 0.86 FAAH (0.35) BDKRB1CNR1FAAHTRPV1PTGS2
SCHEMBL185944 0.85 FAAH (0.36) BDKRB1CNR1FAAHTRPV1PTGS2
SCHEMBL185774 0.85 CD38 (0.34) BDKRB1CNR1FAAHTRPV1PTGS2
SCHEMBL14856819 0.85 BDKRB1 (0.33) BDKRB1CNR1FAAHTRPV1PTGS2
SCHEMBL2807818 0.85 PTGS2 (0.39) BDKRB1CNR1PTGS2CNR2JAK1
SCHEMBL14856726 0.84 FAAH (0.35) BDKRB1CNR1FAAHTRPV1PTGS2
SCHEMBL14856558 0.84 BDKRB1 (0.36) BDKRB1CNR1FAAHTRPV1P2RX7
SCHEMBL14856885 0.82 FAAH (0.34) BDKRB1CNR1FAAHTRPV1JAK1

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