SCHEMBL8197693

SCHEMBL8197693

c1cc(C2=NCCN2)cc(-c2ccsc2)c1

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 10/20 0.67
MAOB P27338 3/20 0.54
MAOA P21397 2/20 0.49
ACHE P22303 1/20 0.49

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
SCHEMBL8197991 0.84 NISCH (0.61) NISCH
SCHEMBL9189709 0.83 NISCH (0.85) NISCHMAOBACHE
SCHEMBL24495491 0.80 NISCH (1.00) NISCHMAOBACHE
SCHEMBL8196382 0.77 NISCH (0.66) NISCH
SCHEMBL26119016 0.76 NISCH (0.73) NISCHMAOBMAOAACHE
SCHEMBL8202191 0.76 NISCH (0.73) NISCHMAOBMAOAACHE
SCHEMBL24495492 0.76 NISCH (0.93) NISCHMAOBACHE
SCHEMBL8202376 0.76 NISCH (0.93) NISCHMAOBACHE
Hydrochloric Acid SCHEMBL8196594 0.76 NISCH (0.55) NISCH
SCHEMBL4350314 0.76 CYP2A6 (0.68)

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-2000078726-A1 IMIDAZOLINE DERIVATIVES FOR THE TREATMENT OF DIABETES, ESPECIALLY TYPE II DIABETES ELI LILLY AND COMPANY (US) 2000-12-28 WO disclosed