SCHEMBL185287

SCHEMBL185287

O=C(NC1(C(=O)NCc2ccc(Nc3ccc(Br)cc3C(F)(F)F)cn2)CC1)Oc1cncs1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.34
FAAH O00519 2/20 0.31
TRPV1 Q8NER1 2/20 0.31
HTR1A P08908 1/20 0.31
DRD2 P14416 1/20 0.31
DRD4 P21917 1/20 0.31
DRD3 P35462 1/20 0.31
EGFR P00533 1/20 0.30
KDR P35968 1/20 0.30
BDKRB1 P46663 1/20 0.30
FPR2 P25090 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
SCHEMBL2806884 0.88 CNR2 (0.37) CNR2HTR1ADRD2DRD4DRD3
SCHEMBL14856682 0.86 FAAH (0.36) CNR2FAAHTRPV1HTR1ADRD2
SCHEMBL185420 0.85 CNR2 (0.34) CNR2FAAHTRPV1EGFRKDR
SCHEMBL2805079 0.85 CNR2 (0.39) CNR2HTR1ADRD2DRD4DRD3
SCHEMBL14856670 0.85 FAAH (0.35) CNR2FAAHTRPV1HTR1ADRD2
SCHEMBL14856724 0.85 FAAH (0.35) CNR2FAAHTRPV1HTR1ADRD2
SCHEMBL186591 0.84 CNR2 (0.36) CNR2FAAHTRPV1EGFRKDR
SCHEMBL14856433 0.84 CNR2 (0.33) CNR2FAAHTRPV1
SCHEMBL14856688 0.83 FAAH (0.34) CNR2FAAHTRPV1HTR1ADRD2
SCHEMBL2809358 0.83 BDKRB1 (0.40) CNR2EGFRKDRBDKRB1FPR2

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