SCHEMBL30933746

SCHEMBL30933746

CCCOc1ccc(Cl)cc1CNC[C@@H]1CCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 8/20 0.45
BCHE P06276 4/20 0.45
MAPK8 P45983 2/20 0.45
PKM P14618 2/20 0.42
MAPT P10636 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ANO1 Q5XXA6 2/20 0.42
KDM4E B2RXH2 2/20 0.41
IDO1 P14902 1/20 0.41
TDO2 P48775 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 1/20 0.41
FNTA P49354 1/20 0.41
FNTB P49356 1/20 0.41
CCNT1 O60563 1/20 0.40
CDK9 P50750 1/20 0.40
HIF1A Q16665 1/20 0.40

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
SCHEMBL30933771 0.94 PKM (0.47) HTR6MAPK8PKMMAPTL3MBTL1
SCHEMBL30933779 0.93 MAPK8 (0.46) HTR6BCHEMAPK8PKMANO1
SCHEMBL30933760 0.93 MAPK8 (0.46) HTR6BCHEMAPK8PKMANO1
SCHEMBL30933725 0.93 MAPK8 (0.46) HTR6BCHEMAPK8PKMANO1
SCHEMBL30933826 0.90 MAPK8 (0.46) HTR6BCHEMAPK8PKMANO1
SCHEMBL30933782 0.87 KDM4E (0.47) HTR6MAPK8PKMKDM4EALDH1A1
SCHEMBL30933770 0.87 KDM4E (0.47) HTR6MAPK8PKMKDM4EALDH1A1
SCHEMBL30933838 0.87 KDM4E (0.48) HTR6MAPK8PKMKDM4EKMT2A
SCHEMBL30933753 0.86 KDM4E (0.48) HTR6MAPK8PKMKDM4EALDH1A1
SCHEMBL30933821 0.86 KDM4E (0.46) HTR6MAPK8PKMKDM4EALDH1A1

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-2024105007-A1 AUTOPHAGY INDUCING COMPOUNDS AND USES THEREOF Samsara Therapeutics Inc. (US) 2024-05-23 WO disclosed