SCHEMBL8286575

SCHEMBL8286575

Cc1cc2c(c(CNCC3CC3)n1)c(=O)cc(Nc1ccccc1)n2-c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE11A Q9HCR9 1/20 0.38
VCP P55072 2/20 0.36
GAA P10253 4/20 0.35
HPGD P15428 3/20 0.35
MAPK1 P28482 2/20 0.35
RIPK1 Q13546 1/20 0.35
ALDH1A1 P00352 4/20 0.34
LMNA P02545 3/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ACACB O00763 1/20 0.34
ACACA Q13085 1/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
KDM4E B2RXH2 4/20 0.33
HTT P42858 3/20 0.33
NPSR1 Q6W5P4 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KCNJ6 P48051 1/20 0.33
KCNJ5 P48544 1/20 0.33
KCNJ3 P48549 1/20 0.33

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
SCHEMBL8286190 0.86 MAPT (0.40) PDE11AVCPGAAHPGDMAPK1
SCHEMBL8287190 0.85 PDE11A (0.40) PDE11AGAAHPGDMAPK1ALDH1A1
SCHEMBL8286460 0.84 PDE11A (0.43) PDE11AGAAHPGDMAPK1ALDH1A1
SCHEMBL8286191 0.83 KCNH3 (0.37) PDE11AGAAHPGDMAPK1ALDH1A1
SCHEMBL8286083 0.83 PDE11A (0.38) PDE11AGAAHPGDMAPK1ALDH1A1
SCHEMBL8286421 0.82 PDE11A (0.39) PDE11AGAAHPGDMAPK1ALDH1A1
SCHEMBL8287209 0.81 PLA2G4A (0.38) PDE11AGAAHPGDMAPK1ALDH1A1
SCHEMBL8287610 0.81 PDE11A (0.39) PDE11AGAAHPGDMAPK1ALDH1A1
SCHEMBL8286189 0.81 PDE11A (0.39) PDE11AGAAHPGDMAPK1ALDH1A1
SCHEMBL8287604 0.80 PDE11A (0.37) PDE11AGAAHPGDMAPK1ALDH1A1

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
WO-2005091857-A2 1,6-NAPHTHYRIDINE AND 1,8-NAPHTHYRIDINE DERIVATIVES AND THEIR USE TO TREAT DIABETES AND RELATED DISORDERS BAYER PHARMACEUTICALS CORPORATION (US) 2005-10-06 WO disclosed
WO-2003027112-A1 1, 8-NAPHTHYRIDINE DERIVATIVES AS ANTIDIABETICS BAYER PHARMACEUTICALS CORPORATION (US) 2003-04-03 WO disclosed