SCHEMBL185968

SCHEMBL185968

Cc1ncc(OC(=O)N[C@@]2(C(=O)NCc3ccc(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
FAAH O00519 2/20 0.35
TRPV1 Q8NER1 1/20 0.35
NTRK1 P04629 1/20 0.35
P2RX7 Q99572 8/20 0.34
BDKRB1 P46663 3/20 0.33
CNR2 P34972 1/20 0.33
CNR1 P21554 1/20 0.33
MAPK1 P28482 1/20 0.32
AURKA O14965 1/20 0.32

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
SCHEMBL14856503 0.93 FAAH (0.39) FAAHTRPV1NTRK1P2RX7BDKRB1
SCHEMBL185850 0.92 FAAH (0.38) FAAHTRPV1NTRK1P2RX7BDKRB1
SCHEMBL185483 0.91 OPRL1 (0.38) OPRL1FAAHTRPV1NTRK1P2RX7
SCHEMBL185388 0.91 OPRL1 (0.36) OPRL1FAAHTRPV1NTRK1P2RX7
SCHEMBL185518 0.90 OPRL1 (0.37) OPRL1FAAHTRPV1NTRK1P2RX7
SCHEMBL2806388 0.89 HDAC3 (0.38) OPRL1NTRK1P2RX7BDKRB1CNR2
SCHEMBL187047 0.88 BDKRB1 (0.37) OPRL1FAAHTRPV1NTRK1P2RX7
SCHEMBL185516 0.88 OPRL1 (0.36) OPRL1FAAHTRPV1NTRK1P2RX7
SCHEMBL14856858 0.87 OPRL1 (0.33) OPRL1FAAHTRPV1P2RX7BDKRB1
SCHEMBL185729 0.85 CNR2 (0.35) OPRL1FAAHTRPV1P2RX7CNR2

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