SCHEMBL4779673

SCHEMBL4779673

O=C(O)N1CCCC[C@H]1C(O)c1cccc(-c2cnccn2)c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIM2 Q9P1W9 1/20 0.42
GRM5 P41594 4/20 0.40
HDAC3 O15379 2/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC2 Q92769 2/20 0.39
CPT2 P23786 3/20 0.39
CPT1A P50416 3/20 0.39
CPT1B Q92523 2/20 0.39
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38
FABP4 P15090 1/20 0.37
SYK P43405 1/20 0.37
GSK3B P49841 2/20 0.37
DYRK1A Q13627 2/20 0.37
KDM4E B2RXH2 1/20 0.36
ABL1 P00519 1/20 0.36
GRK6 P43250 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
SCHEMBL4726619 0.88 DAGLB (0.42) GRM5CPT2CPT1ACPT1BPRMT5
SCHEMBL4726621 0.88 DAGLB (0.42) GRM5CPT2CPT1ACPT1BPRMT5
SCHEMBL4776201 0.84 ROCK2 (0.42) FABP4
SCHEMBL4776197 0.84 ROCK2 (0.42) FABP4
SCHEMBL4777579 0.82 HSD17B2 (0.43) FABP4KDM4E
SCHEMBL5230465 0.80 FAAH (0.43) KDM4E
SCHEMBL8224325 0.79 PRMT5 (0.37) PIM2HDAC3HDAC1HDAC2PRMT5
SCHEMBL4781860 0.78 DAGLB (0.46) CPT2CPT1ACPT1BKDM4E
SCHEMBL4781855 0.78 DAGLB (0.46) CPT2CPT1ACPT1BKDM4E
SCHEMBL3076594 0.76 LMNA (0.44) KDM4E

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-2008018639-A2 GLYCINE TRANSPORTER INHIBITOR TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-02-14 WO disclosed