SCHEMBL185745

SCHEMBL185745

O=C(NC1(C(=O)NCc2ccc(Nc3cccc(Cl)c3Cl)cc2)CC1)Oc1cncnc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 2/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
NAMPT P43490 2/20 0.38
TRPV1 Q8NER1 5/20 0.38
FAAH O00519 4/20 0.36
BPTF Q12830 1/20 0.35
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
CDK8 P49336 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
SCHEMBL185374 0.93 MEN1 (0.47) BDKRB1MEN1KMT2ATDP1NAMPT
SCHEMBL2807548 0.88 BDKRB1 (0.53) BDKRB1MEN1KMT2ATDP1NAMPT
SCHEMBL184989 0.85 BDKRB1 (0.50) BDKRB1NAMPTTRPV1FAAHCYP3A4
SCHEMBL185958 0.83 BDKRB1 (0.44) BDKRB1MEN1KMT2ATDP1NAMPT
SCHEMBL14857250 0.82 BDKRB1 (0.40) BDKRB1MEN1KMT2ATDP1NAMPT
SCHEMBL185605 0.82 FAAH (0.46) BDKRB1NAMPTTRPV1FAAHCYP3A4
SCHEMBL14856425 0.81 BDKRB1 (0.48) BDKRB1MEN1KMT2ANAMPTTRPV1
SCHEMBL2811075 0.80 BDKRB1 (0.57) BDKRB1MEN1KMT2ATDP1NAMPT
SCHEMBL185841 0.78 BDKRB1 (0.46) BDKRB1MEN1KMT2ATDP1TRPV1
SCHEMBL196872 0.77 BDKRB1 (0.40) BDKRB1NAMPTTRPV1FAAHCYP3A4

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