SCHEMBL3955085

SCHEMBL3955085

CC(C)Nc1nc2ccccn2c(=O)c1-c1ccc(NC2CCN(C(=O)O)C2)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.49
USP7 Q93009 1/20 0.42
KCNK3 O14649 6/20 0.40
KCNK9 Q9NPC2 6/20 0.40
ALDH1A1 P00352 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
PIK3CD O00329 3/20 0.37
NPC1 O15118 4/20 0.36
RAB9A P51151 4/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 2/20 0.36
SPR P35270 1/20 0.36
RXFP1 Q9HBX9 2/20 0.36
MEN1 O00255 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
SCHEMBL5125907 0.89 ALDH1A1 (0.49) GFERUSP7KCNK3KCNK9ALDH1A1
SCHEMBL5125914 0.89 ALDH1A1 (0.49) GFERUSP7KCNK3KCNK9ALDH1A1
SCHEMBL3959499 0.88 GFER (0.51) GFERKCNK3KCNK9ALDH1A1L3MBTL1
SCHEMBL3963573 0.87 GFER (0.43) GFERKCNK3KCNK9ALDH1A1L3MBTL1
SCHEMBL3960282 0.87 GFER (0.47) GFERKCNK3KCNK9ALDH1A1L3MBTL1
SCHEMBL3953208 0.85 GFER (0.47) GFERKCNK3KCNK9ALDH1A1L3MBTL1
SCHEMBL3958607 0.84 GFER (0.45) GFERKCNK3KCNK9ALDH1A1L3MBTL1
SCHEMBL3961642 0.84 GFER (0.45) GFERKCNK3KCNK9ALDH1A1L3MBTL1
SCHEMBL3957993 0.84 ALDH1A1 (0.45) GFERKCNK3KCNK9ALDH1A1L3MBTL1
SCHEMBL3961647 0.83 GFER (0.44) GFERKCNK3KCNK9ALDH1A1L3MBTL1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2079737-A1 PYRIDOPYRIMIDINONE COMPOUNDS USEFUL IN TREATING SODIUM CHANNEL-MEDIATED DISEASES OR CONDITIONS XENON PHARMACEUTICALS INC. (CA) 2009-07-22 EP claimed
WO-2008097991-A1 PYRIDOPYRIMIDINONE COMPOUNDS USEFUL IN TREATING SODIUM CHANNEL-MEDIATED DISEASES OR CONDITIONS XENON PHARMACEUTICALS INC. (CA) 2008-08-14 WO claimed
EP-2079737-A1 PYRIDOPYRIMIDINONE COMPOUNDS USEFUL IN TREATING SODIUM CHANNEL-MEDIATED DISEASES OR CONDITIONS XENON PHARMACEUTICALS INC. (CA) 2009-07-22 EP disclosed
WO-2008097991-A1 PYRIDOPYRIMIDINONE COMPOUNDS USEFUL IN TREATING SODIUM CHANNEL-MEDIATED DISEASES OR CONDITIONS XENON PHARMACEUTICALS INC. (CA) 2008-08-14 WO disclosed