SCHEMBL185311

SCHEMBL185311

N#Cc1ccccc1Nc1ccc(CNC(=O)C2(NC(=O)Oc3cncnc3)CC2)c(F)c1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 9/20 0.37
CNR1 P21554 1/20 0.36
AR P10275 2/20 0.35
FAAH O00519 5/20 0.35
TRPV1 Q8NER1 4/20 0.35
P2RX7 Q99572 1/20 0.34
AURKA O14965 1/20 0.32
TAS2R14 Q9NYV8 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
SCHEMBL2805300 0.90 BDKRB1 (0.44) BDKRB1CNR1ARP2RX7AURKA
SCHEMBL185655 0.88 BDKRB1 (0.35) BDKRB1FAAHTRPV1
SCHEMBL202538 0.81 BDKRB1 (0.38) BDKRB1ARFAAHTRPV1
SCHEMBL200796 0.80 FAAH (0.33) BDKRB1FAAHTRPV1
SCHEMBL196872 0.80 BDKRB1 (0.40) BDKRB1FAAHTRPV1
SCHEMBL14857250 0.80 BDKRB1 (0.40) BDKRB1FAAHTRPV1
SCHEMBL2809766 0.77 BDKRB1 (0.43) BDKRB1CNR1ARAURKA
SCHEMBL14857225 0.77 BDKRB1 (0.38) BDKRB1TRPV1
SCHEMBL185883 0.77 FAAH (0.42) BDKRB1CNR1FAAHTRPV1P2RX7
SCHEMBL2836906 0.76 BDKRB1 (0.54) BDKRB1CNR1AURKA

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