SCHEMBL185744

SCHEMBL185744

COc1ncc(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
KCNH2 Q12809 1/20 0.32
SCN5A Q14524 1/20 0.32
SCN9A Q15858 1/20 0.32
FAAH O00519 5/20 0.32
CNR2 P34972 1/20 0.31
MAPK10 P53779 1/20 0.31
TRPV1 Q8NER1 3/20 0.31
TRPA1 O75762 3/20 0.31
RAF1 P04049 1/20 0.31
BDKRB1 P46663 1/20 0.30
P2RX7 Q99572 2/20 0.30
BTK Q06187 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
SCHEMBL185518 0.93 OPRL1 (0.37) OPRL1FAAHCNR2TRPV1TRPA1
SCHEMBL185517 0.93 OPRL1 (0.37) OPRL1FAAHCNR2MAPK10TRPV1
SCHEMBL14856774 0.93 FAAH (0.34) KCNH2SCN5ASCN9AFAAHMAPK10
SCHEMBL186561 0.92 OPRL1 (0.36) OPRL1FAAHCNR2TRPV1TRPA1
SCHEMBL2809034 0.90 BDKRB1 (0.37) OPRL1KCNH2SCN5ASCN9ACNR2
SCHEMBL14856809 0.90 OPRL1 (0.35) OPRL1FAAHCNR2MAPK10TRPV1
SCHEMBL14856697 0.88 OPRL1 (0.35) OPRL1FAAHCNR2MAPK10TRPV1
SCHEMBL2798149 0.86 OPRL1 (0.33) OPRL1FAAHCNR2
SCHEMBL185483 0.85 OPRL1 (0.38) OPRL1FAAHCNR2TRPV1RAF1
SCHEMBL14856670 0.85 FAAH (0.35) KCNH2SCN5ASCN9AFAAHCNR2

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