SCHEMBL8286351

SCHEMBL8286351

O=c1cc(Nc2ccccc2)n(-c2ccccc2)c2nc(OCC3CC3)cc(C(F)(F)F)c12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE11A Q9HCR9 1/20 0.59
LOXL2 Q9Y4K0 2/20 0.36
HCRTR1 O43613 7/20 0.35
HCRTR2 O43614 7/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
TRPA1 O75762 1/20 0.35
TRPM8 Q7Z2W7 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
LRRK2 Q5S007 2/20 0.34
WEE1 P30291 1/20 0.34
CDK2 P24941 1/20 0.33
GSK3B P49841 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
RBP4 P02753 1/20 0.33
TTR P02766 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 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
SCHEMBL8286349 0.88 PDE11A (0.61) PDE11AHCRTR1HCRTR2CNR1CNR2
SCHEMBL8287101 0.87 PDE11A (0.60) PDE11AHCRTR1HCRTR2WEE1
SCHEMBL8287155 0.86 PDE11A (0.59) PDE11AHCRTR1HCRTR2WEE1MEN1
SCHEMBL8287854 0.86 PDE11A (0.57) PDE11ACNR1CNR2TRPA1TRPM8
SCHEMBL8286350 0.85 PDE11A (0.58) PDE11AHCRTR1HCRTR2WEE1MEN1
SCHEMBL8287215 0.85 PDE11A (0.61) PDE11AHCRTR1HCRTR2
SCHEMBL8286353 0.84 PDE11A (0.57) PDE11AHCRTR1HCRTR2CNR1CNR2
SCHEMBL8287224 0.83 PDE11A (0.58) PDE11AHCRTR1HCRTR2
SCHEMBL8287171 0.83 PDE11A (0.56) PDE11AHCRTR1HCRTR2WEE1HTR2A
SCHEMBL8287148 0.83 PDE11A (0.62) PDE11ALOXL2CNR1CNR2WEE1

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