SCHEMBL196872

SCHEMBL196872

N#Cc1cccc(F)c1Nc1ccc(CNC(=O)C2(NC(=O)Oc3cncnc3)CC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 4/20 0.40
FAAH O00519 6/20 0.35
LRRK2 Q5S007 1/20 0.34
TRPV1 Q8NER1 5/20 0.33
VNN1 O95497 1/20 0.33
CTSL P07711 1/20 0.32
CTSB P07858 1/20 0.32
CTSS P25774 1/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
MAPK14 Q16539 1/20 0.32
MAP3K8 P41279 1/20 0.31
NAMPT P43490 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
SCHEMBL2805761 0.89 BDKRB1 (0.49) BDKRB1LRRK2VNN1CTSLCTSB
SCHEMBL14857250 0.87 BDKRB1 (0.40) BDKRB1FAAHLRRK2TRPV1CTSL
SCHEMBL202538 0.83 BDKRB1 (0.38) BDKRB1FAAHLRRK2TRPV1VNN1
SCHEMBL185605 0.82 FAAH (0.46) BDKRB1FAAHTRPV1CYP3A4CYP2C9
SCHEMBL184989 0.81 BDKRB1 (0.50) BDKRB1FAAHTRPV1CYP3A4CYP2C9
SCHEMBL185311 0.80 BDKRB1 (0.37) BDKRB1FAAHTRPV1
SCHEMBL14857225 0.79 BDKRB1 (0.38) BDKRB1TRPV1NAMPT
SCHEMBL14856784 0.78 FAAH (0.36) BDKRB1FAAHTRPV1CYP2C9MAPK14
SCHEMBL186195 0.78 FAAH (0.36) BDKRB1FAAHTRPV1
SCHEMBL185655 0.78 BDKRB1 (0.35) BDKRB1FAAHTRPV1VNN1CTSL

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