SCHEMBL24029745

SCHEMBL24029745

C#CCN(C)CCNC(=O)C(C)(C)NC(=O)CCCc1ccc(Cc2ccccc2C)cc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC5A1 P13866 13/20 0.52
SLC5A2 P31639 9/20 0.52
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
MAOA P21397 2/20 0.35
MAOB P27338 2/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35

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
SCHEMBL24030100 0.97 SLC5A1 (0.50) SLC5A1SLC5A2ALDH1A1POLBMAOA
SCHEMBL24029785 0.89 SLC5A1 (0.55) SLC5A1SLC5A2ALDH1A1POLB
SCHEMBL24897513 0.89 SLC5A1 (0.46) SLC5A1SLC5A2ALDH1A1MAOAMAOB
SCHEMBL22504841 0.88 SLC5A1 (0.64) SLC5A1SLC5A2ALDH1A1POLB
SCHEMBL24030017 0.87 LTA4H (0.41) SLC5A1SLC5A2MAOB
SCHEMBL24029751 0.87 SLC5A1 (0.41) SLC5A1SLC5A2MAOAMAOBHDAC1
SCHEMBL24897432 0.87 SLC5A1 (0.43) SLC5A1SLC5A2ALDH1A1MAOAMAOB
SCHEMBL24038367 0.86 SLC5A1 (0.43) SLC5A1ALDH1A1MAOAMAOB
SCHEMBL24029967 0.85 SLC5A1 (0.39) SLC5A1SLC5A2MAOAMAOB
SCHEMBL24029939 0.83 SLC5A1 (0.39) SLC5A1SLC5A2MAOAMAOBHDAC3

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