SCHEMBL185629

SCHEMBL185629

CC(C(=O)N[C@]1(OC(=O)NCc2ccc(Nc3ccccc3C(F)(F)F)cc2)CCOC1)C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 5/20 0.36
MAPK1 P28482 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.35
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 2/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
THRB P10828 1/20 0.34
RAB9A P51151 1/20 0.34
NOX1 Q9Y5S8 1/20 0.34
DDX3X O00571 1/20 0.33
EPHX2 P34913 1/20 0.33
GAA P10253 1/20 0.33
TSHR P16473 1/20 0.33
LMNA P02545 1/20 0.33
CSGALNACT1 Q8TDX6 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HPGD P15428 1/20 0.33
P2RX7 Q99572 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
SCHEMBL2811321 0.85 CTDSP1 (0.39) POLBMAPK1CTDSP1ALDH1A1KDM4E
SCHEMBL185726 0.83 GAA (0.42) POLBALDH1A1KMT2AMEN1NPC1
SCHEMBL186396 0.83 HPGD (0.40) POLBKDM4ELMNASMN1; SMN2HPGD
SCHEMBL185869 0.83 ALDH1A1 (0.35) POLBCTDSP1ALDH1A1KMT2AMEN1
SCHEMBL185723 0.83 KCNH2 (0.41) POLBALDH1A1KDM4EKMT2AMEN1
SCHEMBL186209 0.83 POLB (0.34) POLBCTDSP1ALDH1A1KDM4EKMT2A
SCHEMBL185812 0.82 POLB (0.34) POLBCTDSP1EPHX2SMN1; SMN2
SCHEMBL186112 0.82 HDAC1 (0.39) POLBALDH1A1NPC1RAB9A
SCHEMBL185692 0.82 LMNA (0.39) POLBMAPK1ALDH1A1NPC1RAB9A
SCHEMBL185326 0.81 KMT2A (0.41) ALDH1A1KDM4EKMT2AMEN1RAB9A

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