SCHEMBL29082091

SCHEMBL29082091

CN1CCC(c2ccc3ccc(B4OC(C)(C)C(C)(C)O4)cc3n2)CC1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LPL P06858 4/20 0.36
LIPG Q9Y5X9 4/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
KCNH2 Q12809 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
BACE1 P56817 3/20 0.32
IDO1 P14902 1/20 0.32
TDO2 P48775 1/20 0.32
ROCK1 Q13464 1/20 0.32
SNCA P37840 1/20 0.32
HTR6 P50406 1/20 0.31
MAP4K1 Q92918 1/20 0.31
QDPR P09417 1/20 0.31

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
SCHEMBL30322906 1.00 LPL (0.36) LPLLIPGIRAK4KCNH2HRH3
SCHEMBL24363858 0.82 NPC1 (0.39) SNCA
SCHEMBL29081831 0.82 IRAK4 (0.36) LPLLIPGIRAK4BACE1IDO1
SCHEMBL30470266 0.82 IRAK4 (0.36) LPLLIPGIRAK4BACE1IDO1
SCHEMBL24145830 0.81 KCNH2 (0.42) LPLLIPGIRAK4KCNH2HRH3
SCHEMBL25336077 0.80 IRAK4 (0.36) LPLLIPGIRAK4KCNH2MAP4K1
SCHEMBL30515068 0.80 IRAK4 (0.36) LPLLIPGIRAK4KCNH2MAP4K1
SCHEMBL25325732 0.80 LPL (0.31) LPLLIPG
SCHEMBL29601147 0.80 USP30 (0.39) LPLLIPG
SCHEMBL20364714 0.80 USP30 (0.39) LPLLIPG

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-116568677-A piperidin-1-yl-N-pyridin-3-yl-2-oxoacetamide derivatives useful for the treatment of MTAP deficiency and/or MTA accumulating cancers 探戈医药股份有限公司 2023-08-08 CN disclosed