SCHEMBL8286090

SCHEMBL8286090

CC(C)Oc1cc(C(F)(F)F)c2c(=O)cc(Nc3ccc(F)cc3)n(-c3ccc(F)cc3)c2n1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE11A Q9HCR9 1/20 0.48
P2RX3 P56373 7/20 0.39
HCRTR1 O43613 3/20 0.34
HCRTR2 O43614 3/20 0.34
NR3C1 P04150 2/20 0.32
MET P08581 1/20 0.32
AXL P30530 1/20 0.32
AR P10275 1/20 0.32
MDM2 Q00987 1/20 0.31
FOXM1 Q08050 1/20 0.30
KDM4E B2RXH2 1/20 0.30
GAA P10253 1/20 0.30
HPGD P15428 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
SCHEMBL8286352 0.89 PDE11A (0.60) PDE11AHCRTR1HCRTR2GAA
SCHEMBL8287367 0.88 PDE11A (0.49) PDE11AP2RX3HCRTR1HCRTR2NR3C1
SCHEMBL8287361 0.86 PDE11A (0.48) PDE11AP2RX3HCRTR1HCRTR2NR3C1
SCHEMBL8287868 0.85 PDE11A (0.47) PDE11AP2RX3HCRTR1HCRTR2MDM2
SCHEMBL8286091 0.84 PDE11A (0.46) PDE11AHCRTR1HCRTR2METAXL
SCHEMBL8287120 0.78 PDE11A (0.49) PDE11AMDM2KDM4EGAAHPGD
SCHEMBL8286094 0.78 PDE11A (0.45) PDE11AMETAXLKDM4EGAA
SCHEMBL8287364 0.77 PDE11A (0.47) PDE11AMETAXLMDM2GAA
SCHEMBL8287101 0.76 PDE11A (0.60) PDE11AHCRTR1HCRTR2
SCHEMBL8287391 0.76 PDE11A (0.81) PDE11A

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