SCHEMBL185841

SCHEMBL185841

CN(c1ccc(CNC(=O)C2(NC(=O)Oc3cncnc3)CC2)cc1)c1ccccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 2/20 0.46
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
TRPV1 Q8NER1 7/20 0.35
FAAH O00519 7/20 0.35
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CNR1 P21554 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
SCHEMBL185880 0.90 BDKRB1 (0.47) BDKRB1MEN1KMT2ATDP1TRPV1
SCHEMBL187120 0.89 BDKRB1 (0.50) BDKRB1TRPV1FAAH
SCHEMBL2805998 0.88 BDKRB1 (0.57) BDKRB1MEN1KMT2ATDP1CNR1
SCHEMBL185085 0.84 BDKRB1 (0.47) BDKRB1MEN1KMT2ATRPV1FAAH
SCHEMBL185457 0.81 BDKRB1 (0.49) BDKRB1TRPV1FAAH
SCHEMBL185374 0.81 MEN1 (0.47) BDKRB1MEN1KMT2ATDP1TRPV1
SCHEMBL184989 0.78 BDKRB1 (0.50) BDKRB1TRPV1FAAH
SCHEMBL2810040 0.78 BDKRB1 (0.58) BDKRB1MEN1KMT2AALDH1A1CNR1
SCHEMBL185745 0.78 BDKRB1 (0.43) BDKRB1MEN1KMT2ATDP1TRPV1
SCHEMBL2806049 0.76 BDKRB1 (0.62) BDKRB1ALDH1A1SMN1; SMN2CNR1

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