SCHEMBL8287889

SCHEMBL8287889

O=c1cc(Nc2ccccc2)n(-c2ccccc2)c2nc(N3CCc4ccccc4C3)cc(C(F)(F)F)c12

nearest known ligand 0.73

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE11A Q9HCR9 1/20 0.73
GRIN2D O15399 12/20 0.39
GRIN3B O60391 12/20 0.39
GRIN1 Q05586 12/20 0.39
GRIN2A Q12879 12/20 0.39
GRIN2B Q13224 12/20 0.39
GRIN2C Q14957 12/20 0.39
GRIN3A Q8TCU5 12/20 0.39
CHRM1 P11229 7/20 0.39
ADRA1D P25100 7/20 0.39
ADRA1A P35348 7/20 0.39
ADRA1B P35368 7/20 0.39
NUDT1 P36639 1/20 0.36
HK1 P19367 1/20 0.35
HKDC1 Q2TB90 1/20 0.35
HRH4 Q9H3N8 1/20 0.35
KDM6B O15054 1/20 0.35
SCN9A Q15858 1/20 0.35
CSNK2A1 P68400 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
SCHEMBL8286364 0.87 PDE11A (0.87) PDE11A
SCHEMBL8286347 0.86 PDE11A (0.54) PDE11AGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL8285158 0.86 PDE11A (0.80) PDE11AHRH4
SCHEMBL5871369 0.86 PDE11A (0.82) PDE11A
SCHEMBL8285154 0.84 PDE11A (1.00) PDE11A
SCHEMBL8285151 0.84 PDE11A (0.80) PDE11A
SCHEMBL8287179 0.82 PDE11A (0.70) PDE11A
SCHEMBL8287152 0.81 PDE11A (0.75) PDE11A
SCHEMBL8285260 0.81 PDE11A (0.73) PDE11A
SCHEMBL8286367 0.80 PDE11A (0.73) PDE11ASCN9A

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
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