SCHEMBL29520593

SCHEMBL29520593

CC1(C)OB(c2ccc3ncn(CCO)c3c2)OC1(C)C

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
LPL P06858 5/20 0.35
LIPG Q9Y5X9 5/20 0.35
EGFR P00533 2/20 0.35
F11 P03951 1/20 0.35
IDO1 P14902 1/20 0.33
TDO2 P48775 1/20 0.33
LMNA P02545 1/20 0.33
FFAR1 O14842 1/20 0.33
ROCK1 Q13464 1/20 0.33
HIF1A Q16665 1/20 0.33
SNCA P37840 1/20 0.33
DGAT1 O75907 1/20 0.33

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
SCHEMBL23638475 1.00 MTNR1A (0.39) MTNR1AMTNR1BIRAK4TDP1LPL
SCHEMBL29520169 0.90 MAPT (0.40) IRAK4TDP1LPLLIPGF11
SCHEMBL15288424 0.85 LPL (0.41) IRAK4LPLLIPGEGFRIDO1
SCHEMBL17678218 0.85 MEN1 (0.51) MTNR1AMTNR1BIRAK4TDP1LPL
SCHEMBL17678298 0.85 HTR6 (0.39) MTNR1AMTNR1BIRAK4TDP1LPL
SCHEMBL2144110 0.83 MTNR1A (0.49) MTNR1AMTNR1BIRAK4LIPGIDO1
SCHEMBL18731879 0.83 TGFBR1 (0.40) MTNR1AMTNR1BIRAK4LPLLIPG
SCHEMBL18731880 0.83 HDAC1 (0.39) MTNR1AMTNR1BIRAK4TDP1
SCHEMBL29463875 0.82 FFAR1 (0.48) MTNR1AMTNR1BIRAK4LPLLIPG
SCHEMBL18638308 0.82 FFAR1 (0.48) MTNR1AMTNR1BIRAK4LPLLIPG

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023146511-A1 COMPOUNDS AND METHODS OF USE THEREOF VIVACE THERAPEUTICS, INC. (US) 2023-08-03 WO disclosed
CN-114901664-A Pyridone compound and application thereof 江苏先声药业有限公司 2022-08-12 CN disclosed
WO-2022063140-A1 PYRIMIDINE AND PYRIDINE DERIVATIVES AS HPK1 MODULATOR AND METHODS USING SAME SHENZHEN IONOVA LIFE SCIENCE CO., LTD. (CN) 2022-03-31 WO disclosed