SCHEMBL8195752

SCHEMBL8195752

c1cc(C2=NCCN2)cc(-c2cccs2)c1

nearest known ligand 0.69

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.69
MAOA P21397 2/20 0.69
NISCH Q9Y2I1 12/20 0.69
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
SCHEMBL8203361 0.89 NISCH (0.75) MAOBMAOANISCH
SCHEMBL9189709 0.83 NISCH (0.85) MAOBNISCHACHE
SCHEMBL8832471 0.82 NISCH (1.00) MAOBMAOANISCH
Hydrochloric Acid SCHEMBL8198861 0.78 NISCH (0.58) MAOBMAOANISCH
SCHEMBL24495491 0.77 NISCH (1.00) MAOBNISCHACHE
SCHEMBL1334921 0.76 KCNH2 (0.59)
SCHEMBL8197693 0.76 NISCH (0.67) MAOBMAOANISCHACHE
SCHEMBL6823761 0.75 NISCH (0.59) MAOBMAOANISCH
SCHEMBL8205384 0.75 NISCH (0.73) MAOBMAOANISCH
SCHEMBL30278832 0.74 NISCH (0.70) MAOBMAOANISCHACHE

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