SCHEMBL3953208

SCHEMBL3953208

CC(C)CCc1nc2ccccn2c(=O)c1-c1ccc(NC2CCN(C(=O)O)C2)cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.47
KCNK3 O14649 10/20 0.39
KCNK9 Q9NPC2 10/20 0.39
ALDH1A1 P00352 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SPR P35270 1/20 0.37
RORC P51449 2/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
ATM Q13315 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35

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
SCHEMBL3961647 0.92 GFER (0.44) GFERKCNK3KCNK9ALDH1A1L3MBTL1
SCHEMBL3961800 0.91 AGTR1 (0.43) GFERKCNK3KCNK9ALDH1A1L3MBTL1
SCHEMBL3958607 0.91 GFER (0.45) GFERKCNK3KCNK9ALDH1A1L3MBTL1
SCHEMBL5128972 0.89 KCNK3 (0.46) GFERKCNK3KCNK9ALDH1A1L3MBTL1
SCHEMBL5128969 0.89 KCNK3 (0.46) GFERKCNK3KCNK9ALDH1A1L3MBTL1
SCHEMBL3959499 0.87 GFER (0.51) GFERKCNK3KCNK9ALDH1A1L3MBTL1
SCHEMBL3961045 0.86 GFER (0.49) GFERKCNK3KCNK9KMT2ANPC1
SCHEMBL3960282 0.86 GFER (0.47) GFERKCNK3KCNK9ALDH1A1L3MBTL1
SCHEMBL3955085 0.85 GFER (0.49) GFERKCNK3KCNK9ALDH1A1L3MBTL1
SCHEMBL3963579 0.85 AGTR1 (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 2 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 disclosed
WO-2008097991-A1 PYRIDOPYRIMIDINONE COMPOUNDS USEFUL IN TREATING SODIUM CHANNEL-MEDIATED DISEASES OR CONDITIONS XENON PHARMACEUTICALS INC. (CA) 2008-08-14 WO disclosed