SCHEMBL23536696

SCHEMBL23536696

C[C@@H]1CN(CC2CCC(c3cn(S(=O)(=O)c4ccc(S(=O)(=O)N(C)C)cc4)c4cccnc34)CC2)C[C@H](C)O1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 10/20 0.35
NPSR1 Q6W5P4 1/20 0.33
PTGDR2 Q9Y5Y4 2/20 0.33
PTGDR Q13258 1/20 0.33
PDE4A P27815 1/20 0.33
KLK7 P49862 2/20 0.31
KDM4E B2RXH2 1/20 0.31
PDE10A Q9Y233 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
SCHEMBL23536763 0.81 HTR6 (0.40) HTR6PTGDR2PTGDRPDE4AKLK7
SCHEMBL23536660 0.79 PDE4A (0.39) HTR6PTGDR2PTGDRPDE4AKLK7
SCHEMBL23536610 0.79 HTR6 (0.36) HTR6NPSR1PTGDR2PTGDRPDE4A
SCHEMBL23536652 0.78 HTR6 (0.36) HTR6PTGDR2PTGDRPDE4AKLK7
SCHEMBL23536640 0.77 HTR6 (0.35) HTR6NPSR1PTGDR2PTGDRPDE4A
SCHEMBL23536836 0.77 HTR6 (0.35) HTR6NPSR1PDE4AKLK7KDM4E
SCHEMBL23536717 0.75 HTR6 (0.37) HTR6PTGDR2PTGDRPDE4AKLK7
SCHEMBL23536573 0.74 HTR6 (0.33) HTR6PTGDR2PTGDRPDE4AKLK7
SCHEMBL23536759 0.74 HTR6 (0.33) HTR6PTGDR2PTGDRPDE4AKLK7
SCHEMBL23570036 0.72 PDE4A (0.36) HTR6PTGDR2PTGDRPDE4AKLK7

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