SCHEMBL24030100

SCHEMBL24030100

C#CCN(C)CCNC(=O)C(C)(C)NC(=O)CCCCc1ccc(Cc2ccccc2C)cc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC5A1 P13866 13/20 0.50
SLC5A2 P31639 6/20 0.50
MAOA P21397 2/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC2 Q92769 2/20 0.36
HDAC8 Q9BY41 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
HDAC3 O15379 1/20 0.36
MAOB P27338 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
SLC6A5 Q9Y345 1/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL24029745 0.97 SLC5A1 (0.52) SLC5A1SLC5A2MAOAHDAC1HDAC2
SCHEMBL24897432 0.90 SLC5A1 (0.43) SLC5A1SLC5A2MAOAHDAC1HDAC2
SCHEMBL24038367 0.89 SLC5A1 (0.43) SLC5A1MAOAMAOBSLC6A5ALDH1A1
SCHEMBL24029785 0.86 SLC5A1 (0.55) SLC5A1SLC5A2ALDH1A1POLB
SCHEMBL24030017 0.86 LTA4H (0.41) SLC5A1SLC5A2MAOB
SCHEMBL24029751 0.86 SLC5A1 (0.41) SLC5A1SLC5A2MAOAHDAC1HDAC2
SCHEMBL24897513 0.86 SLC5A1 (0.46) SLC5A1SLC5A2MAOAMAOBALDH1A1
SCHEMBL22504841 0.85 SLC5A1 (0.64) SLC5A1SLC5A2ALDH1A1POLB
SCHEMBL24029967 0.84 SLC5A1 (0.39) SLC5A1SLC5A2MAOAMAOBSMN1; SMN2
SCHEMBL24029825 0.83 SLC5A1 (0.61) SLC5A1SLC5A2

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