SCHEMBL185655

SCHEMBL185655

N#Cc1ccccc1Nc1cnc(CNC(=O)C2(NC(=O)Oc3cncnc3)CC2)c(F)c1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 2/20 0.35
PIM2 Q9P1W9 1/20 0.35
FAAH O00519 5/20 0.35
TRPV1 Q8NER1 3/20 0.33
VNN1 O95497 1/20 0.33
TTK P33981 2/20 0.33
POLB P06746 1/20 0.32
GRM5 P41594 1/20 0.31
STK4 Q13043 1/20 0.31
METAP2 P50579 1/20 0.31
NTRK1 P04629 1/20 0.31
CTSL P07711 1/20 0.30
CTSB P07858 1/20 0.30
CTSS P25774 1/20 0.30
IRAK4 Q9NWZ3 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
SCHEMBL200796 0.92 FAAH (0.33) BDKRB1FAAHTRPV1VNN1GRM5
SCHEMBL2809766 0.90 BDKRB1 (0.43) BDKRB1PIM2VNN1TTKCTSL
SCHEMBL185311 0.88 BDKRB1 (0.37) BDKRB1FAAHTRPV1
SCHEMBL2806859 0.82 BDKRB1 (0.40) BDKRB1VNN1CTSLCTSS
SCHEMBL202538 0.81 BDKRB1 (0.38) BDKRB1FAAHTRPV1VNN1TTK
SCHEMBL14856605 0.80 FAAH (0.35) BDKRB1FAAHTRPV1NTRK1
SCHEMBL2805300 0.78 BDKRB1 (0.44) BDKRB1CTSLCTSBCTSS
SCHEMBL196872 0.78 BDKRB1 (0.40) BDKRB1FAAHTRPV1VNN1CTSL
SCHEMBL14857250 0.78 BDKRB1 (0.40) BDKRB1FAAHTRPV1CTSLCTSB
SCHEMBL2805260 0.77 BDKRB1 (0.45) BDKRB1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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