SCHEMBL7082178

SCHEMBL7082178

Cc1c(N2CC[C@H](C(C)N)C2)c(F)c(N)c2c(=O)c(C(=O)O)cn(C3CC3)c12

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 8/20 0.71
POLB P06746 2/20 0.59
CACNA1F O60840 1/20 0.59
MAPK1 P28482 1/20 0.59
CACNA1D Q01668 1/20 0.59
CACNA1S Q13698 1/20 0.59
CACNA1C Q13936 1/20 0.59
GSK3B P49841 8/20 0.56
TOP2A P11388 1/20 0.51
TOP2B Q02880 1/20 0.51
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
ALDH1A1 P00352 1/20 0.47
CHRM2 P08172 1/20 0.47
CHRM1 P11229 1/20 0.47
OPRM1 P35372 1/20 0.47
OPRD1 P41143 1/20 0.47

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
SCHEMBL8541774 1.00 KCNH2 (0.71) KCNH2POLBCACNA1FMAPK1CACNA1D
SCHEMBL7082175 1.00 KCNH2 (0.71) KCNH2POLBCACNA1FMAPK1CACNA1D
SCHEMBL8328203 0.94 KCNH2 (0.67) KCNH2POLBCACNA1FMAPK1CACNA1D
SCHEMBL8926306 0.94 KCNH2 (0.67) KCNH2POLBCACNA1FMAPK1CACNA1D
SCHEMBL8328207 0.94 KCNH2 (0.67) KCNH2POLBCACNA1FMAPK1CACNA1D
SCHEMBL5619262 0.91 KCNH2 (0.58) KCNH2POLBCACNA1FMAPK1CACNA1D
SCHEMBL8544340 0.91 KCNH2 (0.58) KCNH2POLBCACNA1FMAPK1CACNA1D
SCHEMBL6959217 0.91 KCNH2 (0.58) KCNH2POLBCACNA1FMAPK1CACNA1D
SCHEMBL5619269 0.91 KCNH2 (0.58) KCNH2POLBCACNA1FMAPK1CACNA1D
SCHEMBL8332205 0.89 KCNH2 (0.72) KCNH2POLBCACNA1FMAPK1CACNA1D

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-1304329-A2 Pyridonecarboxylic acid derivatives and their use as antibacterial agents DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-04-23 EP disclosed
EP-0807630-A1 HETEROCYCLIC COMPOUNDS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1997-11-19 EP disclosed