SCHEMBL8325753

SCHEMBL8325753

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

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.44
SLC6A2 P23975 2/20 0.43
SLC6A4 P31645 2/20 0.43
IDO1 P14902 1/20 0.42
TDO2 P48775 1/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
OPRM1 P35372 2/20 0.40
OPRL1 P41146 2/20 0.40
KDM4E B2RXH2 1/20 0.38
CNR2 P34972 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
MTOR P42345 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
SCHEMBL8324964 0.81 KDM4E (0.38) AOC3MEN1KMT2AKDM4EHDAC4
SCHEMBL8330722 0.81 IDO1 (0.46) AOC3SLC6A2SLC6A4IDO1TDO2
SCHEMBL8326960 0.80 TACR1 (0.38) AOC3MEN1KMT2AKDM4E
SCHEMBL683672 0.77 IDO1 (0.49) AOC3SLC6A2SLC6A4IDO1TDO2
SCHEMBL8328722 0.77 IDO1 (0.42) AOC3SLC6A2SLC6A4IDO1TDO2
SCHEMBL16226553 0.72 SLC6A2 (0.50) AOC3SLC6A2SLC6A4IDO1TDO2
SCHEMBL18526699 0.71 ACHE (0.47) AOC3SLC6A2SLC6A4IDO1TDO2
SCHEMBL28597604 0.70 ACHE (0.44) AOC3SLC6A2SLC6A4IDO1TDO2
SCHEMBL10442326 0.70 AOC3 (0.46) AOC3SLC6A4IDO1TDO2HDAC4
SCHEMBL16950984 0.69 AOC3 (0.50) AOC3IDO1TDO2KDM4EHDAC4

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