SCHEMBL185958

SCHEMBL185958

O=C(NC1(C(=O)NCc2ccc(Nc3ccccc3C(F)(F)F)cc2)CC1)Oc1cncnc1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 2/20 0.44
FAAH O00519 7/20 0.41
TRPV1 Q8NER1 6/20 0.41
NAMPT P43490 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
GAA P10253 1/20 0.35
AURKA O14965 1/20 0.35
PTK2 Q05397 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
SCHEMBL185942 0.92 FAAH (0.38) BDKRB1FAAHTRPV1NAMPTGAA
SCHEMBL2805694 0.88 BDKRB1 (0.54) BDKRB1TRPV1NAMPTMEN1KMT2A
SCHEMBL185374 0.86 MEN1 (0.47) BDKRB1FAAHTRPV1NAMPTMEN1
SCHEMBL2782059 0.86 BDKRB1 (0.39) BDKRB1FAAHTRPV1NAMPT
SCHEMBL185600 0.86 BDKRB1 (0.40) BDKRB1FAAHTRPV1NAMPTMEN1
SCHEMBL14856725 0.86 FAAH (0.45) FAAHTRPV1MEN1KMT2ATDP1
SCHEMBL184989 0.86 BDKRB1 (0.50) BDKRB1FAAHTRPV1NAMPT
SCHEMBL186107 0.85 BDKRB1 (0.41) BDKRB1TRPV1NAMPTMEN1KMT2A
SCHEMBL185605 0.83 FAAH (0.46) BDKRB1FAAHTRPV1NAMPT
SCHEMBL185745 0.83 BDKRB1 (0.43) BDKRB1FAAHTRPV1NAMPTMEN1

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