SCHEMBL30933701

SCHEMBL30933701

COCCOc1ccc(Cl)cc1CNC1CCC(NC(=O)OC(C)(C)C)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 2/20 0.44
CACNB4 O00305 1/20 0.40
CACNA1A O00555 1/20 0.40
CACNA1G O43497 1/20 0.40
CACNG3 O60359 1/20 0.40
CACNA1F O60840 1/20 0.40
CACNA1H O95180 1/20 0.40
CACNB3 P54284 1/20 0.40
CACNA2D1 P54289 1/20 0.40
CACNG7 P62955 1/20 0.40
CACNA1B Q00975 1/20 0.40
CACNA1D Q01668 1/20 0.40
CACNB1 Q02641 1/20 0.40
CACNG1 Q06432 1/20 0.40
CACNB2 Q08289 1/20 0.40
CACNA1S Q13698 1/20 0.40
CACNA1C Q13936 1/20 0.40
CACNA1E Q15878 1/20 0.40
CACNA2D4 Q7Z3S7 1/20 0.40
CACNA2D3 Q8IZS8 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
SCHEMBL30933830 0.89 MAPK8 (0.45) MAPK8CACNB4CACNA1ACACNA1GCACNG3
SCHEMBL30933801 0.85 TACR1 (0.41) ALDH1A1HTR2CHTR2B
SCHEMBL30933703 0.83 CYP1A2 (0.43) MAPK8CACNB4CACNA1ACACNA1GCACNG3
SCHEMBL30933776 0.81 CYP1A2 (0.44) MAPK8CACNB4CACNA1ACACNA1GCACNG3
SCHEMBL30933719 0.80 HTR2C (0.45) MAPTTHRBKDM4EALDH1A1HTR2C
Hydrochloric Acid SCHEMBL30933663 0.79 HTR2C (0.46) MAPTTHRBKDM4EALDH1A1HTR2C
SCHEMBL30933655 0.77 HTR2C (0.41) MAPTKDM4EALDH1A1CCR5HTR2C
SCHEMBL20729364 0.76 PTGER1 (0.41) MAPK8CACNA1BPTGER1ALDH1A1
SCHEMBL30933714 0.75 L3MBTL1 (0.43) MAPTNPC1ALDH1A1CCR5LMNA
SCHEMBL12678687 0.75 GAA (0.40) CACNB4CACNA1ACACNA1GCACNG3CACNA1F

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