SCHEMBL185883

SCHEMBL185883

Cc1ncc(OC(=O)NC2(C(=O)NCc3ccc(Nc4ccccc4C(F)(F)F)cc3F)CC2)cn1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FAAH O00519 4/20 0.42
TRPV1 Q8NER1 3/20 0.42
BDKRB1 P46663 9/20 0.40
CNR1 P21554 1/20 0.40
NTRK1 P04629 1/20 0.36
HPGD P15428 1/20 0.35
ALPL P05186 1/20 0.34
SIRT2 Q8IXJ6 1/20 0.34
P2RX7 Q99572 3/20 0.34

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 0.93 FAAH (0.38) FAAHTRPV1BDKRB1CNR1NTRK1
SCHEMBL14856503 0.92 FAAH (0.39) FAAHTRPV1BDKRB1CNR1NTRK1
SCHEMBL2805174 0.88 BDKRB1 (0.41) BDKRB1CNR1NTRK1HPGDP2RX7
SCHEMBL14856700 0.85 FAAH (0.38) FAAHTRPV1BDKRB1NTRK1HPGD
SCHEMBL185968 0.85 OPRL1 (0.36) FAAHTRPV1BDKRB1CNR1NTRK1
SCHEMBL187047 0.84 BDKRB1 (0.37) FAAHTRPV1BDKRB1CNR1NTRK1
SCHEMBL14856754 0.84 TRPV1 (0.38) FAAHTRPV1BDKRB1NTRK1HPGD
SCHEMBL185703 0.81 FAAH (0.37) FAAHTRPV1BDKRB1HPGD
SCHEMBL185740 0.81 FAAH (0.35) FAAHTRPV1BDKRB1CNR1NTRK1
SCHEMBL2811762 0.81 BDKRB1 (0.35) BDKRB1CNR1NTRK1P2RX7

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