SCHEMBL6624313

SCHEMBL6624313

CC(=O)OC(CC(O)CN1CC2CC(C1)CN(C(=O)O)C2)c1ccc(C#N)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2B Q13224 1/20 0.37
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
KCNH2 Q12809 1/20 0.34
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 2/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CHRM2 P08172 2/20 0.32
CHRM1 P11229 2/20 0.32
CHRM3 P20309 2/20 0.32
SLC6A3 Q01959 2/20 0.31
KDM1A O60341 2/20 0.31
CACNA1F O60840 1/20 0.31
HTR1A P08908 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
DRD2 P14416 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
SCHEMBL6620819 0.85 GRIN2B (0.43) GRIN1GRIN2BMEN1KMT2AKCNH2
SCHEMBL6317205 0.80 GRIN2B (0.51) GRIN1GRIN2BMEN1KMT2AALDH1A1
SCHEMBL6619543 0.79 MEN1 (0.53) GRIN1GRIN2BMEN1KMT2AKCNH2
SCHEMBL6622630 0.79 MEN1 (0.53) GRIN1GRIN2BMEN1KMT2AKCNH2
SCHEMBL6622261 0.78 KCNA5 (0.43) GRIN1GRIN2BMEN1KMT2AKCNH2
SCHEMBL6621946 0.77 MMP12 (0.50) MEN1KCNH2ALDH1A1L3MBTL1SLC6A3
SCHEMBL6316829 0.77 GRIN1 (0.38) TSHRGRIN1GRIN2BMEN1KMT2A
SCHEMBL6316782 0.77 GRIN1 (0.38) TSHRGRIN1GRIN2BALDH1A1KDM4E
SCHEMBL6622363 0.76 MAPT (0.37) GRIN1GRIN2BMEN1KMT2AKCNH2
SCHEMBL6620971 0.74 HRH1 (0.41) GRIN1GRIN2BKCNH2ALDH1A1KDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1047695-B1 NOVEL BISPIDINE ANTIARRHYTHMIC COMPOUNDS ASTRAZENECA AB (SE) 2004-03-17 EP disclosed
US-6291475-B1 3,7-DIAZABICYCLO(3.3.1)NONANE DERIVATIVES ASTRAZENECA AB (SE) 2001-09-18 US disclosed
EP-1047695-A1 NOVEL BISPIDINE ANTIARRHYTHMIC COMPOUNDS AstraZeneca AB (SE) 2000-11-02 EP disclosed
WO-1999031100-A1 NOVEL BISPIDINE ANTIARRHYTHMIC COMPOUNDS ASTRAZENECA AB (SE) 1999-06-24 WO disclosed