SCHEMBL186209

SCHEMBL186209

COC1CC(C(=O)N[C@]2(OC(=O)NCc3ccc(Nc4ccccc4C(F)(F)F)cc3)CCOC2)C1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 5/20 0.34
GAA P10253 2/20 0.33
EPHX2 P34913 3/20 0.32
CTDSP1 Q9GZU7 1/20 0.32
ALDH1A1 P00352 3/20 0.32
HTT P42858 2/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ITGA4 P13612 1/20 0.32
RECQL P46063 1/20 0.32
FPR3 P25089 1/20 0.32
FPR2 P25090 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CYP2C9 P11712 1/20 0.31
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL185812 0.88 POLB (0.34) POLBEPHX2CTDSP1HTTITGA4
SCHEMBL2807540 0.87 POLB (0.36) POLBGAAEPHX2CTDSP1ALDH1A1
SCHEMBL186105 0.85 RAB9A (0.33) POLBEPHX2CTDSP1HTTITGA4
SCHEMBL185988 0.84 P2RX7 (0.33) POLBCTDSP1HTTRECQLMEN1
SCHEMBL185629 0.83 POLB (0.36) POLBGAAEPHX2CTDSP1ALDH1A1
SCHEMBL186396 0.82 HPGD (0.40) POLBMAPTHPGDKDM4ELMNA
SCHEMBL185726 0.82 GAA (0.42) POLBGAAEPHX2ALDH1A1MAPT
SCHEMBL185723 0.81 KCNH2 (0.41) POLBGAAALDH1A1HTTMAPT
SCHEMBL185869 0.80 ALDH1A1 (0.35) POLBCTDSP1ALDH1A1HTTMAPT
SCHEMBL185326 0.80 KMT2A (0.41) GAAEPHX2ALDH1A1MAPTHPGD

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