SCHEMBL185518

SCHEMBL185518

Cc1ncc(OC(=O)N[C@@]2(C(=O)NCc3ccc(Nc4ccc(F)cc4C(F)(F)F)cn3)CCOC2)cn1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 3/20 0.37
NTRK1 P04629 1/20 0.33
FAAH O00519 5/20 0.33
CNR2 P34972 1/20 0.32
RAF1 P04049 5/20 0.32
TRPV1 Q8NER1 4/20 0.32
TRPA1 O75762 2/20 0.31
P2RX7 Q99572 2/20 0.31
MAPK3 P27361 1/20 0.30
MAPK1 P28482 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
SCHEMBL186561 0.93 OPRL1 (0.36) OPRL1FAAHCNR2TRPV1TRPA1
SCHEMBL185744 0.93 OPRL1 (0.36) OPRL1FAAHCNR2RAF1TRPV1
SCHEMBL185483 0.93 OPRL1 (0.38) OPRL1NTRK1FAAHCNR2RAF1
SCHEMBL185968 0.90 OPRL1 (0.36) OPRL1NTRK1FAAHCNR2TRPV1
SCHEMBL185388 0.89 OPRL1 (0.36) OPRL1NTRK1FAAHCNR2RAF1
SCHEMBL185516 0.89 OPRL1 (0.36) OPRL1NTRK1FAAHCNR2RAF1
SCHEMBL2809085 0.89 OPRL1 (0.38) OPRL1NTRK1CNR2RAF1TRPA1
SCHEMBL2798149 0.88 OPRL1 (0.33) OPRL1FAAHCNR2
SCHEMBL14856710 0.86 FAAH (0.35) FAAHCNR2TRPV1TRPA1P2RX7
SCHEMBL186275 0.85 BTK (0.38) OPRL1FAAHCNR2TRPV1MAPK3

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