SCHEMBL23536717

SCHEMBL23536717

COCC1(C)CCC(c2cn(S(=O)(=O)c3ccc(S(=O)(=O)N(C)C)cc3)c3cccnc23)CC1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 12/20 0.37
PTGDR2 Q9Y5Y4 2/20 0.34
PDE4A P27815 1/20 0.34
PTGDR Q13258 1/20 0.34
MMP1 P03956 1/20 0.33
ADAM17 P78536 1/20 0.33
KLK7 P49862 4/20 0.33

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
SCHEMBL23536640 0.85 HTR6 (0.35) HTR6PTGDR2PDE4APTGDRKLK7
SCHEMBL23536836 0.83 HTR6 (0.35) HTR6PDE4AKLK7
SCHEMBL23536660 0.81 PDE4A (0.39) HTR6PTGDR2PDE4APTGDRKLK7
SCHEMBL23536763 0.81 HTR6 (0.40) HTR6PTGDR2PDE4APTGDRKLK7
SCHEMBL23536759 0.79 HTR6 (0.33) HTR6PTGDR2PDE4APTGDRKLK7
SCHEMBL23536573 0.79 HTR6 (0.33) HTR6PTGDR2PDE4APTGDRKLK7
SCHEMBL23536610 0.79 HTR6 (0.36) HTR6PTGDR2PDE4APTGDRKLK7
SCHEMBL23536652 0.78 HTR6 (0.36) HTR6PTGDR2PDE4APTGDRKLK7
SCHEMBL23536696 0.75 HTR6 (0.35) HTR6PTGDR2PDE4APTGDRKLK7
SCHEMBL23570338 0.73 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