SCHEMBL6160126

SCHEMBL6160126

Cc1c(N2CCC([C@@H]3C[C@@H]3N)C2)c(F)c(N)c2c(=O)c(OC(=O)O)cn([C@@H]3C[C@@H]3F)c12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.35
POLB P06746 2/20 0.35
CACNA1F O60840 1/20 0.35
MAPK1 P28482 1/20 0.35
CACNA1D Q01668 1/20 0.35
CACNA1S Q13698 1/20 0.35
CACNA1C Q13936 1/20 0.35
CYP3A4 P08684 1/20 0.34
ALDH1A1 P00352 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
PIM3 Q86V86 2/20 0.32
RPS6KB1 P23443 1/20 0.32
MATK P42679 1/20 0.32
DYRK1A Q13627 1/20 0.32
MAPKAPK3 Q16644 1/20 0.32
AURKB Q96GD4 1/20 0.32
PIM1 P11309 1/20 0.30

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
SCHEMBL6160120 0.88 KCNH2 (0.48) KCNH2POLBCACNA1FMAPK1CACNA1D
SCHEMBL9023245 0.83 POLB (0.48) KCNH2POLBCACNA1FMAPK1CACNA1D
SCHEMBL7462916 0.83 KCNH2 (0.34) KCNH2POLBCACNA1FMAPK1CACNA1D
SCHEMBL8007488 0.81 PIM3 (0.41) KCNH2POLBCACNA1FMAPK1CACNA1D
SCHEMBL15063038 0.79 CACNA1F (0.36) KCNH2POLBCACNA1FMAPK1CACNA1D
SCHEMBL5787369 0.78 CYP3A4 (0.37) KCNH2POLBCACNA1FMAPK1CACNA1D
SCHEMBL10443389 0.78 KCNH2 (0.53) KCNH2POLBCACNA1FMAPK1CACNA1D
SCHEMBL9372414 0.78 KCNH2 (0.53) KCNH2POLBCACNA1FMAPK1CACNA1D
SCHEMBL6974626 0.77 MEN1 (0.45) KCNH2POLBCACNA1FMAPK1CACNA1D
SCHEMBL9023000 0.76 KCNH2 (0.50) 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-0919553-B1 cis-SUBSTITUTED AMINOCYCLOPROPANE DERIVATIVES DAIICHI SEIYAKU CO (JP) 2005-03-02 EP claimed