SCHEMBL30933729

SCHEMBL30933729

CCOc1ccc(Cl)cc1CN[C@H]1CCCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANO1 Q5XXA6 2/20 0.53
AHCY P23526 2/20 0.49
CNR1 P21554 1/20 0.46
CNR2 P34972 1/20 0.46
USP30 Q70CQ3 2/20 0.45
ALDH1A1 P00352 1/20 0.45
SCN9A Q15858 1/20 0.44
MAPK8 P45983 2/20 0.43
NPBWR1 P48145 1/20 0.43
MCHR1 Q99705 1/20 0.43
CPT2 P23786 1/20 0.42
CPT1A P50416 1/20 0.42
CPT1B Q92523 1/20 0.42
GAA P10253 1/20 0.42
PROKR1 Q8TCW9 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
FNTA P49354 1/20 0.41
FNTB P49356 1/20 0.41
MEN1 O00255 1/20 0.41

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
SCHEMBL30933805 0.94 AHCY (0.48) ANO1AHCYUSP30ALDH1A1SCN9A
SCHEMBL30933889 0.90 ANO1 (0.45) ANO1AHCYUSP30ALDH1A1SCN9A
SCHEMBL30933779 0.82 MAPK8 (0.46) ANO1AHCYALDH1A1MAPK8CYP1A2
SCHEMBL30933760 0.82 MAPK8 (0.46) ANO1AHCYALDH1A1MAPK8CYP1A2
SCHEMBL30933725 0.82 MAPK8 (0.46) ANO1AHCYALDH1A1MAPK8CYP1A2
SCHEMBL13434283 0.81 HTT (0.51) ANO1AHCYCNR1CNR2USP30
SCHEMBL14747175 0.81 HTT (0.51) ANO1AHCYCNR1CNR2USP30
SCHEMBL30933838 0.80 KDM4E (0.48) ALDH1A1MAPK8CYP1A2CYP2D6FNTA
SCHEMBL30933679 0.80 NPBWR1 (0.47) ALDH1A1NPBWR1MCHR1CYP1A2CYP2D6
SCHEMBL951933 0.79 ALDH1A1 (0.57) ANO1CNR1CNR2ALDH1A1SCN9A

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