SCHEMBL8285244

SCHEMBL8285244

Cc1cc(NCC(=O)O)c2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE11A Q9HCR9 1/20 0.44
OPRK1 P41145 1/20 0.40
GAA P10253 3/20 0.39
MAPK1 P28482 3/20 0.39
HPGD P15428 2/20 0.39
GFER P55789 1/20 0.39
POLB P06746 1/20 0.39
TDP1 Q9NUW8 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KDM4E B2RXH2 5/20 0.36
NPSR1 Q6W5P4 2/20 0.36
ATM Q13315 1/20 0.36
MAPT P10636 5/20 0.36
HTT P42858 2/20 0.36
ALDH1A1 P00352 3/20 0.36
LMNA P02545 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NPC1 O15118 1/20 0.36
CLK1 P49759 1/20 0.36

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
SCHEMBL8287405 0.91 OPRK1 (0.53) PDE11AOPRK1GAAMAPK1HPGD
SCHEMBL8361762 0.89 OPRK1 (0.41) PDE11AOPRK1GAAMAPK1HPGD
SCHEMBL8361761 0.89 ALDH1A1 (0.42) PDE11AOPRK1GAAMAPK1HPGD
SCHEMBL8361763 0.87 PDE11A (0.41) PDE11AOPRK1GAAMAPK1HPGD
SCHEMBL8285238 0.87 PDE11A (0.49) PDE11AGAAMAPK1HPGDGFER
SCHEMBL8287409 0.86 PDE11A (0.51) PDE11AGAAHPGDKDM4ENPSR1
SCHEMBL8287830 0.85 PDE11A (0.48) PDE11AGAAMAPK1HPGDGFER
SCHEMBL8287137 0.84 PDE11A (0.44) PDE11AGAAMAPK1HPGDGFER
SCHEMBL8286445 0.84 TSHR (0.46) PDE11AGAAMAPK1HPGDPOLB
SCHEMBL8285202 0.84 NCF1 (0.47) PDE11AGAAMAPK1HPGDPOLB

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