SCHEMBL23536640

SCHEMBL23536640

CN(C)S(=O)(=O)c1ccc(S(=O)(=O)n2cc(C3CCC4(CC3)OC(C)(C)C(C)(C)O4)c3ncccc32)cc1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 10/20 0.35
PDE4A P27815 1/20 0.35
KLK7 P49862 4/20 0.34
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PTGDR2 Q9Y5Y4 2/20 0.32
PTGDR Q13258 1/20 0.32
PDE10A Q9Y233 1/20 0.31
HTR1D P28221 1/20 0.31
HTR1B P28222 1/20 0.31
DRD3 P35462 1/20 0.31

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
SCHEMBL23536836 0.91 HTR6 (0.35) HTR6PDE4AKLK7ALDH1A1SMN1; SMN2
SCHEMBL23536763 0.85 HTR6 (0.40) HTR6PDE4AKLK7PTGDR2PTGDR
SCHEMBL23536717 0.85 HTR6 (0.37) HTR6PDE4AKLK7PTGDR2PTGDR
SCHEMBL23536660 0.84 PDE4A (0.39) HTR6PDE4AKLK7PTGDR2PTGDR
SCHEMBL23536573 0.83 HTR6 (0.33) HTR6PDE4AKLK7PTGDR2PTGDR
SCHEMBL23536759 0.83 HTR6 (0.33) HTR6PDE4AKLK7PTGDR2PTGDR
SCHEMBL23536610 0.81 HTR6 (0.36) HTR6PDE4AKLK7ALDH1A1SMN1; SMN2
SCHEMBL23536652 0.80 HTR6 (0.36) HTR6PDE4AKLK7PTGDR2PTGDR
SCHEMBL23536696 0.77 HTR6 (0.35) HTR6PDE4AKLK7NPSR1PTGDR2
SCHEMBL23570338 0.77 GPR119 (0.37) HTR6KLK7

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-2021127333-A1 TRPML MODULATORS CASMA THERAPEUTICS, INC. (US) 2021-06-24 WO disclosed