SCHEMBL185374

SCHEMBL185374

O=C(NC1(C(=O)NCc2ccc(Nc3ccccc3Cl)cc2)CC1)Oc1cncnc1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
BDKRB1 P46663 2/20 0.46
TRPV1 Q8NER1 6/20 0.41
NAMPT P43490 4/20 0.39
FAAH O00519 6/20 0.39
AURKA O14965 1/20 0.37

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
SCHEMBL185745 0.93 BDKRB1 (0.43) MEN1KMT2ATDP1BDKRB1TRPV1
SCHEMBL184989 0.88 BDKRB1 (0.50) BDKRB1TRPV1NAMPTFAAH
SCHEMBL2811075 0.87 BDKRB1 (0.57) MEN1KMT2ATDP1BDKRB1NAMPT
SCHEMBL185958 0.86 BDKRB1 (0.44) MEN1KMT2ATDP1BDKRB1TRPV1
SCHEMBL185605 0.83 FAAH (0.46) BDKRB1TRPV1NAMPTFAAH
SCHEMBL14856425 0.82 BDKRB1 (0.48) MEN1KMT2ABDKRB1TRPV1NAMPT
SCHEMBL14857250 0.82 BDKRB1 (0.40) MEN1KMT2ATDP1BDKRB1TRPV1
SCHEMBL185841 0.81 BDKRB1 (0.46) MEN1KMT2ATDP1BDKRB1TRPV1
SCHEMBL2807548 0.80 BDKRB1 (0.53) MEN1KMT2ATDP1BDKRB1NAMPT
SCHEMBL186807 0.79 RAB9A (0.38) MEN1KMT2ABDKRB1TRPV1NAMPT

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