SCHEMBL24029751

SCHEMBL24029751

C#CCN(C)CCNC(=O)C(C)(C)NC(=O)CCOCc1ccc(Cc2ccccc2C)cc1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC5A1 P13866 4/20 0.41
SLC5A2 P31639 3/20 0.41
MAOA P21397 5/20 0.32
HDAC1 Q13547 5/20 0.32
HDAC2 Q92769 5/20 0.32
HDAC8 Q9BY41 5/20 0.32
HDAC6 Q9UBN7 5/20 0.32
MAOB P27338 3/20 0.32
L3MBTL1 Q9Y468 3/20 0.32
KDM1A O60341 1/20 0.31
ACHE P22303 1/20 0.30

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
SCHEMBL24029820 0.92 SLC5A1 (0.38) SLC5A1SLC5A2
SCHEMBL24029967 0.91 SLC5A1 (0.39) SLC5A1SLC5A2MAOAMAOBKDM1A
SCHEMBL24030017 0.90 LTA4H (0.41) SLC5A1SLC5A2MAOBKDM1A
SCHEMBL24037955 0.89 LMNA (0.36) SLC5A1MAOAHDAC1HDAC2HDAC8
SCHEMBL24029745 0.87 SLC5A1 (0.52) SLC5A1SLC5A2MAOAHDAC1HDAC2
SCHEMBL24030100 0.86 SLC5A1 (0.50) SLC5A1SLC5A2MAOAHDAC1HDAC2
SCHEMBL24029863 0.84 SLC5A1 (0.36) SLC5A1SLC5A2MAOAMAOB
SCHEMBL24897610 0.82 MAOB (0.37) MAOAMAOBKDM1AACHE
SCHEMBL24029939 0.81 SLC5A1 (0.39) SLC5A1SLC5A2MAOAHDAC1HDAC2
SCHEMBL24897649 0.81 ALDH1A1 (0.40) SLC5A1MAOAMAOBACHE

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-2021227439-A1 ARYL GLUCOSIDE DERIVATIVE 上海喆邺生物科技有限公司 2021-11-18 WO disclosed