SCHEMBL186591

SCHEMBL186591

O=C(NC1(C(=O)NCc2ccc(Nc3ccc(Br)cc3C(F)(F)F)cn2)CC1)Oc1cccc(O)n1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.36
FAAH O00519 5/20 0.32
TRPV1 Q8NER1 5/20 0.32
EGFR P00533 1/20 0.31
KDR P35968 1/20 0.31
PTK2 Q05397 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
SCHEMBL14856645 0.91 TRPV1 (0.35) CNR2FAAHTRPV1
SCHEMBL14856433 0.90 CNR2 (0.33) CNR2FAAHTRPV1
SCHEMBL2804950 0.87 CNR2 (0.39) CNR2TRPV1PTK2
SCHEMBL185287 0.84 CNR2 (0.34) CNR2FAAHTRPV1EGFRKDR
SCHEMBL14856682 0.84 FAAH (0.36) CNR2FAAHTRPV1EGFRKDR
SCHEMBL185420 0.84 CNR2 (0.34) CNR2FAAHTRPV1EGFRKDR
SCHEMBL2805079 0.83 CNR2 (0.39) CNR2EGFRKDRPTK2
SCHEMBL14856670 0.83 FAAH (0.35) CNR2FAAHTRPV1EGFRKDR
SCHEMBL14856724 0.83 FAAH (0.35) CNR2FAAHTRPV1EGFRKDR
SCHEMBL2810180 0.81 CNR2 (0.36) CNR2PTK2

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