SCHEMBL185728

SCHEMBL185728

N#CC1(NC(=O)C2CC2)CC1.O=C(O)NCc1ccc(Nc2ccc(Cl)cc2C(F)(F)F)cn1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.39
CTSS P25774 13/20 0.38
CTSL P07711 9/20 0.38
CNR2 P34972 4/20 0.37
ACKR3 P25106 1/20 0.37
LRRK2 Q5S007 1/20 0.35
CNR1 P21554 1/20 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
SCHEMBL185393 0.83 CNR2 (0.42) CNR2CNR1
SCHEMBL186629 0.80 HTR2A (0.39) CNR2CNR1
Trifluoroacetic Acid SCHEMBL14856625 0.80 CNR2 (0.40) CNR2CNR1
SCHEMBL185747 0.79 CNR2 (0.39) CNR2CNR1
SCHEMBL2809946 0.79 CNR2 (0.39) CNR2
SCHEMBL185320 0.79 GAA (0.36) CNR2CNR1
SCHEMBL13128856 0.78 CNR2 (0.36) CTSLCNR2
SCHEMBL185884 0.78 CNR2 (0.38) CNR2CNR1
SCHEMBL2805697 0.76 RAB9A (0.41) CNR2
SCHEMBL2807298 0.76 CNR2 (0.40) CTSLCNR2CNR1

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