SCHEMBL187047

SCHEMBL187047

Cc1ncc(OC(=O)N[C@@]2(C(=O)NCc3ccc(Nc4c(F)cccc4C(F)(F)F)cc3F)CCOC2)cn1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 9/20 0.37
CNR1 P21554 1/20 0.37
FAAH O00519 3/20 0.36
TRPV1 Q8NER1 3/20 0.36
NTRK1 P04629 1/20 0.33
PTGS2 P35354 1/20 0.33
RAF1 P04049 1/20 0.32
P2RX7 Q99572 3/20 0.32
OPRL1 P41146 1/20 0.31
CNR2 P34972 1/20 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
SCHEMBL185850 0.92 FAAH (0.38) BDKRB1CNR1FAAHTRPV1NTRK1
SCHEMBL2811531 0.89 BDKRB1 (0.37) BDKRB1CNR1NTRK1PTGS2RAF1
SCHEMBL185968 0.88 OPRL1 (0.36) BDKRB1CNR1FAAHTRPV1NTRK1
SCHEMBL185883 0.84 FAAH (0.42) BDKRB1CNR1FAAHTRPV1NTRK1
Hydrochloric Acid SCHEMBL185917 0.82 FAAH (0.32) FAAHTRPV1PTGS2OPRL1
SCHEMBL185944 0.82 FAAH (0.36) BDKRB1CNR1FAAHTRPV1NTRK1
SCHEMBL197511 0.81 BDKRB1 (0.35) BDKRB1CNR1PTGS2OPRL1CNR2
SCHEMBL185703 0.81 FAAH (0.37) BDKRB1FAAHTRPV1CNR2
SCHEMBL2811762 0.81 BDKRB1 (0.35) BDKRB1CNR1NTRK1RAF1P2RX7
SCHEMBL14857218 0.81 MAPK7 (0.32) BDKRB1FAAHTRPV1P2RX7OPRL1

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