SCHEMBL459218

SCHEMBL459218

O=[C]N1CCC(c2nc(Cn3ccc(O)cc3=O)cs2)CC1

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DNM1L O00429 2/20 0.38
GPR119 Q8TDV5 5/20 0.33
SLC6A3 Q01959 2/20 0.33
HSD17B13 Q7Z5P4 1/20 0.33
AOC3 Q16853 1/20 0.31

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
SCHEMBL459450 0.74 SLC6A3 (0.40) DNM1LGPR119SLC6A3AOC3
SCHEMBL1523244 0.60 MAPK14 (0.62)
SCHEMBL1039375 0.60 PI4KA (0.45)
SCHEMBL12036245 0.59 BAZ2A (0.43) DNM1LGPR119SLC6A3AOC3
SCHEMBL1270396 0.59 GPR119 (0.42) DNM1LGPR119SLC6A3AOC3
SCHEMBL1524006 0.58 PI4KA (0.40)
SCHEMBL459452 0.58 ALDH1A1 (0.54)
SCHEMBL9046241 0.58 SLC6A3 (0.47) DNM1LGPR119SLC6A3AOC3
SCHEMBL12036168 0.58 BAZ2A (0.44) DNM1LGPR119SLC6A3AOC3
SCHEMBL1269354 0.58 SLC6A3 (0.40) DNM1LGPR119SLC6A3AOC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012011707-A2 SUBSTITUTED PYRIDINONE DERIVATIVES AND METHODS FOR MANUFACTURING THE SAME HYUNDAI PHARM CO., LTD. (KR) 2012-01-26 WO disclosed