SCHEMBL9520397

SCHEMBL9520397

CO[C@@H]1CN(c2c(F)c(N)c3c(=O)c(OC(=O)O)cn(C4CC4)c3c2Cl)C[C@@H]1N

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.46
POLB P06746 2/20 0.46
CACNA1F O60840 1/20 0.46
MAPK1 P28482 1/20 0.46
CACNA1D Q01668 1/20 0.46
CACNA1S Q13698 1/20 0.46
CACNA1C Q13936 1/20 0.46
ALDH1A1 P00352 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
GSK3B P49841 11/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TOP2A P11388 1/20 0.36
TOP2B Q02880 1/20 0.36
DPP4 P27487 2/20 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
SCHEMBL9520213 0.93 KCNH2 (0.53) KCNH2POLBCACNA1FMAPK1CACNA1D
SCHEMBL9520277 0.89 POLB (0.44) KCNH2POLBCACNA1FMAPK1CACNA1D
SCHEMBL9520390 0.88 POLB (0.61) KCNH2POLBCACNA1FMAPK1CACNA1D
SCHEMBL9520477 0.88 POLB (0.61) KCNH2POLBCACNA1FMAPK1CACNA1D
SCHEMBL9520487 0.88 POLB (0.61) KCNH2POLBCACNA1FMAPK1CACNA1D
SCHEMBL9837385 0.83 POLB (0.45) KCNH2POLBCACNA1FMAPK1CACNA1D
SCHEMBL9521387 0.82 CACNA1F (0.51) KCNH2POLBCACNA1FMAPK1CACNA1D
SCHEMBL9839484 0.81 KCNH2 (0.52) KCNH2POLBCACNA1FMAPK1CACNA1D
SCHEMBL9520194 0.81 CACNA1F (0.70) KCNH2POLBCACNA1FMAPK1CACNA1D
SCHEMBL9520182 0.81 CACNA1F (0.70) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0347851-B1 Quinolonecarboxylic acids SHIONOGI & CO (JP) 1993-11-10 EP claimed