SCHEMBL186046

SCHEMBL186046

CC(NC(=O)[C@]1(NC(=O)Oc2cncnc2)CCOC1)c1ccc(Nc2ccc(F)cc2C(F)(F)F)cn1

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 14/20 0.36
OPRL1 P41146 3/20 0.32
FAAH O00519 3/20 0.32
TRPV1 Q8NER1 2/20 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
SCHEMBL186533 0.93 BDKRB1 (0.33) BDKRB1FAAHTRPV1
SCHEMBL186430 0.93 BDKRB1 (0.33) BDKRB1FAAHTRPV1
SCHEMBL14856869 0.93 BDKRB1 (0.37) BDKRB1TRPV1
SCHEMBL185811 0.93 BDKRB1 (0.37) BDKRB1FAAHTRPV1
SCHEMBL2809516 0.91 BDKRB1 (0.42) BDKRB1OPRL1
SCHEMBL2809518 0.91 BDKRB1 (0.42) BDKRB1OPRL1
SCHEMBL14856578 0.85 BDKRB1 (0.34) BDKRB1FAAHTRPV1
SCHEMBL186202 0.83 FAAH (0.38) BDKRB1FAAHTRPV1
SCHEMBL13160205 0.83 BDKRB1 (0.38) BDKRB1
SCHEMBL2810098 0.83 BDKRB1 (0.38) BDKRB1

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