SCHEMBL8198758

SCHEMBL8198758

Fc1ccc(-c2cccc(C3=NCCN3)c2)cc1

nearest known ligand 0.76

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 12/20 0.76
MAOB P27338 1/20 0.56
FDPS P14324 1/20 0.52
ACHE P22303 1/20 0.51
ALDH1A1 P00352 1/20 0.49
CYP1A2 P05177 1/20 0.49
HPGD P15428 1/20 0.49
CASP1 P29466 1/20 0.49
CASP7 P55210 1/20 0.49
HSD17B10 Q99714 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
SCHEMBL8202376 0.89 NISCH (0.93) NISCHMAOBACHE
SCHEMBL8201492 0.87 NISCH (0.84) NISCHMAOBALDH1A1CYP1A2HPGD
SCHEMBL24495491 0.86 NISCH (1.00) NISCHMAOBACHEALDH1A1CYP1A2
SCHEMBL8197880 0.86 NISCH (0.69) NISCH
SCHEMBL9189709 0.86 NISCH (0.85) NISCHMAOBACHE
SCHEMBL771337 0.84 NISCH (0.66) NISCH
SCHEMBL24495603 0.84 NISCH (0.76) NISCHMAOBFDPSACHE
SCHEMBL26126801 0.84 NISCH (0.76) NISCHMAOBFDPS
Hydrochloric Acid SCHEMBL8195447 0.83 NISCH (0.73) NISCHMAOBFDPSACHE
SCHEMBL29175185 0.82 NISCH (0.66) NISCHMAOBFDPSACHE

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