SCHEMBL185136

SCHEMBL185136

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

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 3/20 0.32
FAAH O00519 3/20 0.32
CNR2 P34972 1/20 0.31
MAPK3 P27361 1/20 0.31
MAPK1 P28482 1/20 0.31
SMO Q99835 1/20 0.31
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
SCHEMBL185040 0.94 MAPK3 (0.34) OPRL1FAAHMAPK3MAPK1TRPV1
SCHEMBL185613 0.92 SMO (0.33) FAAHCNR2SMOTRPV1
SCHEMBL2808302 0.91 BACE1 (0.33) OPRL1CNR2MAPK3MAPK1
SCHEMBL185363 0.87 FAAH (0.31) FAAHTRPV1
SCHEMBL14856612 0.86 MAPK10 (0.33) FAAHMAPK3MAPK1SMOTRPV1
SCHEMBL185331 0.85 DHODH (0.35) FAAHCNR2MAPK3TRPV1
SCHEMBL186205 0.85 LIPE (0.36) FAAHCNR2TRPV1
SCHEMBL2807707 0.85 MAPK3 (0.36) OPRL1CNR2MAPK3MAPK1
SCHEMBL186651 0.85 CNR2 (0.39) CNR2TRPV1
SCHEMBL185910 0.85 FAAH (0.32) FAAHCNR2TRPV1

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