SCHEMBL186561

SCHEMBL186561

CNc1ncc(OC(=O)N[C@@]2(C(=O)NCc3ccc(Nc4ccc(F)cc4C(F)(F)F)cn3)CCOC2)cn1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 3/20 0.36
LRRK2 Q5S007 4/20 0.32
FAAH O00519 4/20 0.32
BTK Q06187 1/20 0.31
CNR2 P34972 3/20 0.31
MAPK3 P27361 2/20 0.31
MAPK1 P28482 1/20 0.31
PTK2 Q05397 1/20 0.31
TRPV1 Q8NER1 3/20 0.31
KIT P10721 1/20 0.31
FLT3 P36888 1/20 0.31
TRPA1 O75762 1/20 0.31
TTK P33981 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
SCHEMBL186275 0.93 BTK (0.38) OPRL1LRRK2FAAHBTKCNR2
SCHEMBL185518 0.93 OPRL1 (0.37) OPRL1FAAHCNR2MAPK3MAPK1
SCHEMBL185744 0.92 OPRL1 (0.36) OPRL1FAAHBTKCNR2TRPV1
SCHEMBL2808177 0.89 HDAC3 (0.38) OPRL1LRRK2CNR2MAPK3MAPK1
SCHEMBL14856567 0.88 OPRL1 (0.35) OPRL1LRRK2FAAHCNR2MAPK3
SCHEMBL2798149 0.86 OPRL1 (0.33) OPRL1FAAHCNR2
SCHEMBL186511 0.86 OPRL1 (0.39) OPRL1LRRK2FAAHBTKCNR2
SCHEMBL185483 0.85 OPRL1 (0.38) OPRL1FAAHBTKCNR2PTK2
SCHEMBL14856623 0.85 CNR2 (0.37) FAAHBTKCNR2PTK2TRPV1
SCHEMBL186119 0.85 PTK2 (0.37) LRRK2BTKCNR2PTK2TRPV1

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