SCHEMBL8285258

SCHEMBL8285258

CN(C)C(=O)CCc1cc(C(F)(F)F)c2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2n1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE11A Q9HCR9 1/20 0.55
CNR1 P21554 2/20 0.36
CNR2 P34972 2/20 0.36
MAT2A P31153 2/20 0.35
KMT2A Q03164 5/20 0.33
MEN1 O00255 3/20 0.33
WEE1 P30291 1/20 0.33
LMNA P02545 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NR4A1 P22736 1/20 0.32
NR4A2 P43354 1/20 0.32
NR4A3 Q92570 1/20 0.32
CSF1R P07333 1/20 0.32
MAPT P10636 2/20 0.32
ALDH1A1 P00352 1/20 0.32
HTT P42858 1/20 0.32
GAA P10253 2/20 0.32
POLB P06746 1/20 0.32
PDE10A Q9Y233 1/20 0.31

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
SCHEMBL8285257 0.90 PDE11A (0.57) PDE11ACNR1CNR2KMT2AMEN1
SCHEMBL8285254 0.90 PDE11A (0.59) PDE11ACNR1CNR2KMT2AMEN1
SCHEMBL8285280 0.89 PDE11A (0.56) PDE11ACNR1CNR2KMT2AMEN1
SCHEMBL8362903 0.89 PDE11A (0.56) PDE11ACNR1CNR2MAT2AKMT2A
SCHEMBL8285263 0.88 PDE11A (0.56) PDE11ACNR1CNR2KMT2AMEN1
SCHEMBL8287845 0.86 PDE11A (0.55) PDE11ACNR1CNR2MAT2AKMT2A
SCHEMBL8285266 0.84 PDE11A (0.57) PDE11AKMT2AMEN1MAPTALDH1A1
SCHEMBL8287168 0.83 PDE11A (0.56) PDE11A
SCHEMBL8287106 0.83 PDE11A (0.54) PDE11ACNR1CNR2MAT2ALMNA
SCHEMBL8285283 0.83 PDE11A (0.57) PDE11ACNR1CNR2KMT2AMEN1

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