SCHEMBL185388

SCHEMBL185388

Cc1ncc(OC(=O)N[C@@]2(C(=O)NCc3ncc(Nc4ccc(F)cc4C(F)(F)F)cc3F)CCOC2)cn1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 3/20 0.36
NTRK1 P04629 1/20 0.32
CNR2 P34972 2/20 0.32
FAAH O00519 4/20 0.31
TRPV1 Q8NER1 3/20 0.31
P2RX7 Q99572 3/20 0.30
MAPK3 P27361 1/20 0.30
MAPK1 P28482 1/20 0.30
RAF1 P04049 1/20 0.30
CNR1 P21554 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
SCHEMBL185516 0.94 OPRL1 (0.36) OPRL1NTRK1CNR2FAAHTRPV1
SCHEMBL185729 0.94 CNR2 (0.35) OPRL1CNR2FAAHTRPV1P2RX7
SCHEMBL14856809 0.93 OPRL1 (0.35) OPRL1CNR2FAAHTRPV1
SCHEMBL185740 0.93 FAAH (0.35) OPRL1NTRK1CNR2FAAHTRPV1
SCHEMBL185968 0.91 OPRL1 (0.36) OPRL1NTRK1CNR2FAAHTRPV1
SCHEMBL185483 0.91 OPRL1 (0.38) OPRL1NTRK1CNR2FAAHTRPV1
SCHEMBL185518 0.89 OPRL1 (0.37) OPRL1NTRK1CNR2FAAHTRPV1
SCHEMBL2805565 0.89 OPRL1 (0.38) OPRL1NTRK1CNR2P2RX7MAPK3
SCHEMBL186281 0.88 OPRL1 (0.36) OPRL1NTRK1CNR2FAAHTRPV1
SCHEMBL186076 0.87 CNR2 (0.37) CNR2FAAHTRPV1P2RX7

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