SCHEMBL8286113

SCHEMBL8286113

CC(=O)Nc1cc(C(F)(F)F)c2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE11A Q9HCR9 1/20 0.60
CNR1 P21554 2/20 0.41
CNR2 P34972 2/20 0.41
MAT2A P31153 2/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
NPC1 O15118 2/20 0.37
MAPT P10636 7/20 0.37
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 2/20 0.37
GAA P10253 1/20 0.37
NPY5R Q15761 1/20 0.36
RIPK1 Q13546 1/20 0.36
WEE1 P30291 1/20 0.36
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
HTT P42858 2/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL8286121 0.90 PDE11A (0.60) PDE11ACNR1CNR2MEN1KMT2A
SCHEMBL8286116 0.90 PDE11A (0.56) PDE11ACNR1CNR2MEN1KMT2A
SCHEMBL8286117 0.89 PDE11A (0.59) PDE11ACNR1CNR2MEN1KMT2A
SCHEMBL8286392 0.86 PDE11A (0.62) PDE11ACNR1CNR2MEN1KMT2A
SCHEMBL8287114 0.85 PDE11A (0.59) PDE11ACNR1CNR2MEN1KMT2A
SCHEMBL8285152 0.85 PDE11A (0.56) PDE11ACNR1CNR2MEN1KMT2A
SCHEMBL8287840 0.85 PDE11A (0.54) PDE11ACNR1CNR2MEN1KMT2A
SCHEMBL5872148 0.84 PDE11A (0.60) PDE11ACNR1CNR2MAT2AMEN1
SCHEMBL8285156 0.84 PDE11A (0.56) PDE11ACNR1CNR2MAT2AMEN1
SCHEMBL8287838 0.84 PDE11A (0.57) PDE11ACNR1CNR2MEN1KMT2A

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