SCHEMBL29082018

SCHEMBL29082018

Cc1cc(C2CCCCN2C(=O)OC(C)(C)C)n(C)n1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
NPSR1 Q6W5P4 3/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
CPT1A P50416 3/20 0.39
PRMT5 O14744 2/20 0.39
WDR77 Q9BQA1 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
TSHR P16473 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CPT2 P23786 1/20 0.39
HTT P42858 1/20 0.38
HSD11B1 P28845 1/20 0.38

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
SCHEMBL25322738 0.83 PRMT5 (0.34) ALDH1A1NPSR1LMNAMAPTPRMT5
SCHEMBL25322740 0.83 PRMT5 (0.34) ALDH1A1NPSR1LMNAMAPTPRMT5
SCHEMBL18685698 0.78 KDM4E (0.52) MAPTKMT2AHTT
SCHEMBL18403342 0.77 SLC34A1 (0.44) ALDH1A1MAPTMEN1KMT2A
SCHEMBL30833402 0.77 PDE8B (0.40) ALDH1A1NPSR1LMNAMAPTCPT1A
SCHEMBL30833510 0.76 PDE8B (0.40) ALDH1A1NPSR1LMNACPT1APRMT5
SCHEMBL9254476 0.76 CHRNB2 (0.51) ALDH1A1NPSR1LMNAMAPTCPT1A
SCHEMBL24632464 0.75 ALDH1A1 (0.44) ALDH1A1NPSR1LMNAMAPTL3MBTL1
SCHEMBL30833508 0.75 WNT3 (0.36) NPSR1LMNACPT1AL3MBTL1MEN1
SCHEMBL20202192 0.75 PRMT5 (0.50) ALDH1A1NPSR1LMNAMAPTPRMT5

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