SCHEMBL4786599

SCHEMBL4786599

Clc1nc(N2CCOCC2)nc(N2CCc3ccccc3C2)n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CETP P11597 1/20 0.58
MAPT P10636 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
NAPEPLD Q6IQ20 1/20 0.47
EED O75530 1/20 0.47
HTT P42858 3/20 0.46
POLB P06746 1/20 0.46
LMNA P02545 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
GLA P06280 1/20 0.45
GAA P10253 1/20 0.45
HPGD P15428 1/20 0.45
HSD17B10 Q99714 1/20 0.45
NPSR1 Q6W5P4 1/20 0.44
PIK3CA P42336 2/20 0.43
PTGS2 P35354 1/20 0.43
PIK3R1 P27986 1/20 0.43

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
SCHEMBL3714145 0.87 CETP (0.57) CETPMAPTL3MBTL1EEDLMNA
SCHEMBL20361203 0.83 MAPT (0.45) CETPMAPTL3MBTL1NAPEPLDHTT
SCHEMBL1123836 0.82 NAPEPLD (0.62) CETPMAPTNAPEPLDEEDHTT
SCHEMBL1124012 0.80 TSHR (0.49) CETPMAPTNAPEPLDEEDPOLB
SCHEMBL1123909 0.80 GRIN2D (0.48) CETPNAPEPLDEEDPOLBKDM4E
SCHEMBL1124032 0.78 TSHR (0.51) CETPMAPTNAPEPLDEEDHTT
SCHEMBL1308905 0.78 MAPT (0.61) MAPTL3MBTL1HTTPOLBLMNA
SCHEMBL15334821 0.76 CETP (0.59) CETPNAPEPLDHTTPOLBKMT2A
SCHEMBL1123980 0.76 HRH4 (0.67) CETPNAPEPLDHTTKMT2ANPSR1
SCHEMBL3241588 0.75 CETP (0.49) CETPEEDHTTLMNAKMT2A

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-2008072850-A1 TRIAZINE DERIVATIVES HAVING INHIBITORY ACTIVITY AGAINST ACETYL-COA CARBOXYLASE AMOREPACIFIC CORPORATION (KR) 2008-06-19 WO disclosed