SCHEMBL28636211

SCHEMBL28636211

CC1(C)OB(c2cnn(Cc3cccc(CN(CCc4ccccc4)C(=O)COC(N)=O)c3)c2)OC1(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.38
KLKB1 P03952 2/20 0.38
FFAR1 O14842 1/20 0.36
ITK Q08881 1/20 0.35
LIPG Q9Y5X9 2/20 0.34
ALDH1A1 P00352 4/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
KMT2A Q03164 1/20 0.34
HDAC1 Q13547 1/20 0.33
F2 P00734 1/20 0.33
F11 P03951 1/20 0.33
PRSS1 P07477 1/20 0.33
PRSS2 P07478 1/20 0.33
PRSS3 P35030 1/20 0.33
SCD O00767 1/20 0.33
SCD5 Q86SK9 1/20 0.33
POLB P06746 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
LPL P06858 1/20 0.32

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
SCHEMBL21049910 0.89 KLKB1 (0.40) L3MBTL1KLKB1FFAR1ITKLIPG
SCHEMBL21089705 0.82 SCD (0.40) KLKB1FFAR1ITKALDH1A1HDAC1
SCHEMBL21089816 0.72 FFAR1 (0.52) L3MBTL1KLKB1FFAR1LIPGMEN1
SCHEMBL98814 0.72 FFAR1 (0.56) L3MBTL1KLKB1FFAR1LIPGSCD
SCHEMBL14858425 0.71 LIPG (0.50) L3MBTL1KLKB1FFAR1LIPGMEN1
SCHEMBL22777159 0.71 FFAR1 (0.47) KLKB1FFAR1LIPGF2F11
SCHEMBL14165519 0.70 FFAR1 (0.47) L3MBTL1KLKB1FFAR1LIPGMEN1
SCHEMBL13736818 0.70 KLKB1 (0.46) L3MBTL1KLKB1FFAR1LIPGALDH1A1
SCHEMBL13737711 0.70 CD74 (0.49) L3MBTL1KLKB1FFAR1POLBTDP1
SCHEMBL29736831 0.70 CD74 (0.49) L3MBTL1KLKB1FFAR1POLBTDP1

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
CN-109689661-B Macrocyclic inhibitors of myeloperoxidase 百时美施贵宝公司 2021-10-15 CN disclosed