SCHEMBL186586

SCHEMBL186586

COc1ncc(OC(=O)N[C@@]2(C(=O)NCc3ccc(Nc4ccc(Cl)cc4C(F)(F)F)cc3)CCOC2)cn1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 8/20 0.36
POLB P06746 1/20 0.36
BTK Q06187 1/20 0.34
MAPT P10636 1/20 0.34
ALDH1A1 P00352 3/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
BDKRB1 P46663 1/20 0.33
PTGES O14684 1/20 0.33
MAPK10 P53779 1/20 0.33
PTK2 Q05397 1/20 0.33
ATM Q13315 1/20 0.32
TRPV1 Q8NER1 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
SCHEMBL187048 0.93 CNR2 (0.37) CNR2POLBBTKMAPTSMN1; SMN2
SCHEMBL185517 0.92 OPRL1 (0.37) CNR2BTKSMN1; SMN2BDKRB1PTGES
SCHEMBL186119 0.91 PTK2 (0.37) CNR2POLBBTKPTK2TRPV1
SCHEMBL2808148 0.90 BDKRB1 (0.40) CNR2POLBMAPTBDKRB1PTK2
SCHEMBL186660 0.90 CNR2 (0.36) CNR2POLBBTKMAPTALDH1A1
SCHEMBL186053 0.90 CNR2 (0.34) CNR2POLBBDKRB1TRPV1
SCHEMBL14856646 0.90 CNR2 (0.35) CNR2ALDH1A1HTR2AHTR2CKDM4E
SCHEMBL14856813 0.85 CNR2 (0.33) CNR2PTGESTRPV1
SCHEMBL185744 0.85 OPRL1 (0.36) CNR2BTKBDKRB1MAPK10TRPV1
SCHEMBL14856697 0.85 OPRL1 (0.35) CNR2BDKRB1MAPK10TRPV1

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