SCHEMBL3984347

SCHEMBL3984347

Cn1c(=O)ccc2ncc(Cl)c(CCN3CCC(NC(=O)O)CC3)c21

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.39
SIGMAR1 Q99720 2/20 0.39
SLC2A1 P11166 1/20 0.39
HTR1A P08908 2/20 0.38
HTR1D P28221 2/20 0.38
SLC6A4 P31645 2/20 0.38
HTR1B P28222 1/20 0.38
SSTR1 P30872 1/20 0.37
SSTR5 P35346 1/20 0.37
HRH1 P35367 1/20 0.37
UBE2M P61081 1/20 0.36
DCUN1D1 Q96GG9 1/20 0.36
CARM1 Q86X55 1/20 0.36
PRMT6 Q96LA8 1/20 0.36
HTR7 P34969 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL3981222 0.84 SSTR4 (0.40) KCNH2SLC2A1SSTR1
SCHEMBL3090361 0.84 SSTR4 (0.40) KCNH2SLC2A1SSTR1
SCHEMBL3095797 0.84 SSTR4 (0.40) KCNH2SLC2A1SSTR1
SCHEMBL3107031 0.83 SPHK1 (0.37) KCNH2SLC2A1HTR1AHTR1DSLC6A4
Hydrochloric Acid SCHEMBL3107676 0.83 SLC2A1 (0.38) KCNH2SLC2A1HTR1AHTR1DSLC6A4
SCHEMBL3106752 0.81 OPRM1 (0.35) KCNH2SLC2A1HTR1AHTR1DSLC6A4
SCHEMBL6079762 0.80 CNR2 (0.45) KCNH2SIGMAR1SLC2A1UBE2MDCUN1D1
SCHEMBL3982792 0.80 KCNH2 (0.37) KCNH2SLC2A1HTR1AHTR1DSLC6A4
SCHEMBL3982714 0.79 PTPN11 (0.35) KCNH2SLC2A1HTR1AHTR1DSLC6A4
SCHEMBL3100022 0.79 PTPN11 (0.35) KCNH2SLC2A1HTR1AHTR1DSLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2029612-A1 SUBSTITUTED 1-METHYL-1H-QUINOLIN-2-ONES AND 1-METHYL-1H-1,5-NAPHTHYRIDIN-2-ONES AS ANTIBACTERIALS Glaxo Group Limited (GB) 2009-03-04 EP disclosed
WO-2008006648-A1 SUBSTITUTED 1-METHYL-1H-QUINOLIN-2-ONES AND 1-METHYL-1H-1,5-NAPHTHYRIDIN-2-ONES AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2008-01-17 WO disclosed