SCHEMBL186182

SCHEMBL186182

COc1cc(OC(=O)NC2(C(=O)NCc3ccc(Nc4ccc(Cl)cc4C(F)(F)F)cn3)CC2)on1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.38
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
PABPC1 P11940 1/20 0.35
KMT2A Q03164 1/20 0.35
POLB P06746 1/20 0.34
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
BDKRB1 P46663 2/20 0.32
MAPK10 P53779 2/20 0.32
MAPT P10636 1/20 0.32
ALDH1A1 P00352 1/20 0.32
ATM Q13315 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
TRPV1 Q8NER1 1/20 0.32
MRGPRX4 Q96LA9 1/20 0.32
RECQL P46063 1/20 0.31
P2RX7 Q99572 1/20 0.31

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
SCHEMBL2811092 0.89 BDKRB1 (0.42) CNR2POLBBDKRB1
SCHEMBL204657 0.88 CNR2 (0.37) CNR2KMT2ABDKRB1TRPV1P2RX7
SCHEMBL14856808 0.85 CNR2 (0.38) CNR2MEN1USP2PABPC1KMT2A
SCHEMBL14856668 0.83 CNR2 (0.36) CNR2TRPV1P2RX7LMNA
SCHEMBL14856623 0.83 CNR2 (0.37) CNR2HTR2AHTR2CTRPV1P2RX7
SCHEMBL186047 0.83 MEN1 (0.43) CNR2MEN1USP2PABPC1KMT2A
SCHEMBL14857196 0.82 CNR2 (0.36) CNR2MEN1USP2PABPC1KMT2A
SCHEMBL14856721 0.82 CNR2 (0.38) CNR2TRPV1P2RX7
SCHEMBL14856645 0.82 TRPV1 (0.35) CNR2POLBTRPV1MRGPRX4P2RX7
SCHEMBL14856247 0.82 CNR2 (0.36) CNR2MEN1KMT2APOLBHTR2A

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