SCHEMBL24029967

SCHEMBL24029967

C#CCN(C)CCNC(=O)C(C)(C)NC(=O)COCc1ccc(Cc2ccccc2C)cc1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC5A1 P13866 3/20 0.39
SLC5A2 P31639 3/20 0.39
MAOB P27338 4/20 0.33
MAOA P21397 2/20 0.33
KMT2A Q03164 2/20 0.31
ACHE P22303 1/20 0.31
CARM1 Q86X55 1/20 0.31
PRMT1 Q99873 1/20 0.31
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PYCR1 P32322 1/20 0.30
KDM1A O60341 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
SCHEMBL24029863 0.92 SLC5A1 (0.36) SLC5A1SLC5A2MAOBMAOA
SCHEMBL24029751 0.91 SLC5A1 (0.41) SLC5A1SLC5A2MAOBMAOAACHE
SCHEMBL24897610 0.89 MAOB (0.37) MAOBMAOAKMT2AACHECARM1
SCHEMBL24029745 0.85 SLC5A1 (0.52) SLC5A1SLC5A2MAOBMAOA
SCHEMBL24030017 0.84 LTA4H (0.41) SLC5A1SLC5A2MAOBKDM1A
SCHEMBL24030100 0.84 SLC5A1 (0.50) SLC5A1SLC5A2MAOBMAOASMN1; SMN2
SCHEMBL24029820 0.84 SLC5A1 (0.38) SLC5A1SLC5A2
SCHEMBL24029939 0.83 SLC5A1 (0.39) SLC5A1SLC5A2MAOBMAOAKDM1A
SCHEMBL24037955 0.82 LMNA (0.36) SLC5A1MAOBMAOAACHECARM1
SCHEMBL24029966 0.81 SLC5A1 (0.66) 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