SCHEMBL8287166

SCHEMBL8287166

CCOC(=O)COc1cc(C(F)(F)F)c2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2n1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE11A Q9HCR9 1/20 0.56
HCRTR1 O43613 17/20 0.41
HCRTR2 O43614 16/20 0.41
CSF1R P07333 1/20 0.40
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL8287215 0.89 PDE11A (0.61) PDE11AHCRTR1HCRTR2
SCHEMBL8287101 0.89 PDE11A (0.60) PDE11AHCRTR1HCRTR2CSF1RALDH1A1
SCHEMBL8287168 0.89 PDE11A (0.56) PDE11AHCRTR1HCRTR2
SCHEMBL8287224 0.87 PDE11A (0.58) PDE11AHCRTR1HCRTR2
SCHEMBL8287105 0.85 PDE11A (0.53) PDE11AHCRTR1HCRTR2CSF1RMEN1
SCHEMBL8286349 0.85 PDE11A (0.61) PDE11AHCRTR1HCRTR2MEN1GAA
SCHEMBL8287819 0.84 PDE11A (0.53) PDE11ACSF1RMEN1ALDH1A1GAA
SCHEMBL8286353 0.83 PDE11A (0.57) PDE11AHCRTR1HCRTR2MEN1GAA
SCHEMBL8287155 0.83 PDE11A (0.59) PDE11AHCRTR1HCRTR2MEN1ALDH1A1
SCHEMBL8286350 0.82 PDE11A (0.58) PDE11AHCRTR1HCRTR2MEN1KMT2A

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