SCHEMBL250768

SCHEMBL250768

Cn1cc(OC(=O)NC2(C(=O)NCc3ccc(Nc4ccc(Cl)cc4C(F)(F)F)cn3)CC2)cn1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.36
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
PROKR1 Q8TCW9 1/20 0.34
TRPV1 Q8NER1 3/20 0.33
FAAH O00519 2/20 0.33
ROS1 P08922 1/20 0.33
ALK Q9UM73 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDR P35968 6/20 0.33
KIT P10721 2/20 0.32
P2RX7 Q99572 1/20 0.32
MAPK1 P28482 1/20 0.32
NAMPT P43490 1/20 0.32
LMNA P02545 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
SCHEMBL14856668 0.88 CNR2 (0.36) CNR2TRPV1FAAHP2RX7LMNA
SCHEMBL14856808 0.87 CNR2 (0.38) CNR2HTR2AHTR2CTRPV1FAAH
SCHEMBL14856623 0.87 CNR2 (0.37) CNR2HTR2AHTR2CTRPV1FAAH
SCHEMBL2810744 0.87 PROKR1 (0.40) CNR2HTR2AHTR2CPROKR1ROS1
SCHEMBL14856721 0.87 CNR2 (0.38) CNR2TRPV1FAAHP2RX7
SCHEMBL14856464 0.87 CNR2 (0.35) CNR2TRPV1FAAHP2RX7
SCHEMBL14856247 0.87 CNR2 (0.36) CNR2HTR2AHTR2CTRPV1FAAH
SCHEMBL14856723 0.87 CNR2 (0.36) CNR2PROKR1TRPV1FAAHP2RX7
SCHEMBL14857251 0.87 CNR2 (0.36) CNR2TRPV1FAAHP2RX7LMNA
SCHEMBL14856769 0.86 CNR2 (0.36) CNR2TRPV1FAAHP2RX7LMNA

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