SCHEMBL29138318

SCHEMBL29138318

CN(C)C1(C)C=Nc2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 2/20 0.32
OPRM1 P35372 1/20 0.30
OPRK1 P41145 1/20 0.30
OPRL1 P41146 1/20 0.30

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
SCHEMBL926937 0.76 HTR5A (0.35) HTR5A
SCHEMBL29639106 0.76 HTR5A (0.35) HTR5A
Iodide SCHEMBL29258426 0.74 HTR5A (0.37) HTR5A
Hydrochloric Acid SCHEMBL30881482 0.74 HTR5A (0.34) HTR5A
SCHEMBL28422949 0.72 HTR5A (0.33) HTR5A
SCHEMBL5486167 0.72 HTR5A (0.33) HTR5A
SCHEMBL4213780 0.69 HTR5A (0.32) HTR5A
SCHEMBL38654837 0.68 LMNA (0.31) HTR5A
SCHEMBL8348870 0.67 HTR5A (0.30) HTR5A
SCHEMBL5851114 0.67 ADORA3 (0.35)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115429794-B Application of 3-methylindole dimethyl amino dithioate in preparation of medicines for preventing and treating periodontitis 温州医科大学附属口腔医院 2023-11-17 CN claimed
CN-115429794-B Application of 3-methylindole dimethyl amino dithioate in preparation of medicines for preventing and treating periodontitis 温州医科大学附属口腔医院 2023-11-17 CN disclosed