SCHEMBL8328722

SCHEMBL8328722

[CH2]C(NC)C(c1ccccc1)c1cccc(F)c1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.42
TDO2 P48775 1/20 0.42
SLC6A4 P31645 5/20 0.41
SLC6A2 P23975 4/20 0.41
CNR2 P34972 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
MTOR P42345 1/20 0.38
KDM4E B2RXH2 1/20 0.38
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
AOC3 Q16853 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
SCHEMBL8324974 0.84 KMT2A (0.40) SLC6A4SLC6A2CNR2KDM4E
SCHEMBL8325683 0.81 CYP3A4 (0.38) HDAC4KDM4E
SCHEMBL8330722 0.81 IDO1 (0.46) IDO1TDO2SLC6A4SLC6A2CNR2
SCHEMBL27506328 0.80 ACP3 (0.41) SLC6A4SLC6A2AOC3
SCHEMBL8329176 0.80 MEN1 (0.38) SLC6A4SLC6A2KDM4E
SCHEMBL8327275 0.78 SLC6A4 (0.51) SLC6A4SLC6A2KDM4E
SCHEMBL683672 0.77 IDO1 (0.49) IDO1TDO2SLC6A4SLC6A2CNR2
SCHEMBL8325753 0.77 AOC3 (0.44) IDO1TDO2SLC6A4SLC6A2CNR2
SCHEMBL16552595 0.73 SLC6A2 (0.64) SLC6A4SLC6A2
SCHEMBL24017128 0.72 HDAC4 (0.47) IDO1TDO2SLC6A4SLC6A2CNR2

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-0948496-A2 SUBSTITUTED PYRIMIDINONE AND PYRIDONE COMPOUNDS AND METHODS OF USE Amgen inc. (US) 1999-10-13 EP disclosed
WO-1998024780-A2 SUBSTITUTED PYRIMIDINONE AND PYRIDINONE COMPOUNDS AND THEIR USE AMGEN INC. (US) 1998-06-11 WO disclosed