SCHEMBL24029773

SCHEMBL24029773

C#CCN(C)CCNC(=O)C(C)(C)NC1=CC1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAOB P27338 9/20 0.36
PYCR1 P32322 1/20 0.33
MAOA P21397 3/20 0.32
ACHE P22303 3/20 0.32
BCHE P06276 1/20 0.31
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 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
SCHEMBL26550945 0.77 MAOB (0.35) MAOBPYCR1MAOAACHEKDM1A
SCHEMBL24029587 0.75 MAOB (0.34) MAOBPYCR1ACHEKDM1A
SCHEMBL26570547 0.73 TDP1 (0.36) MAOBMAOAHDAC1HDAC2HDAC8
SCHEMBL8936036 0.69 MAOB (0.38) MAOBPYCR1MAOAACHEKDM1A
SCHEMBL3250569 0.68 TDP1 (0.45) MAOBMAOA
SCHEMBL27254355 0.67 ALDH1A1 (0.41) MAOBPYCR1MAOAACHEHDAC1
SCHEMBL27254382 0.67 MEN1 (0.45) MAOBPYCR1ACHE
SCHEMBL27254366 0.65 MAOB (0.35) MAOBPYCR1MAOAACHEHDAC1
SCHEMBL24029827 0.65
SCHEMBL26550964 0.65 POLB (0.31)

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