SCHEMBL9675775

SCHEMBL9675775

Cn1ccnc1C1=Cc2cc(OCCCC3CCCC3)ccc2OC1CCc1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.35
MAOA P21397 11/20 0.35
MAOB P27338 8/20 0.34
KCNH2 Q12809 4/20 0.34
HRH3 Q9Y5N1 1/20 0.33
PPARG P37231 1/20 0.33
BCHE P06276 1/20 0.32
ACHE P22303 1/20 0.32

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
Cyclohexane Carboxamide SCHEMBL9031627 0.92 ALOX5 (0.39) ALOX5MAOAMAOBPPARGBCHE
SCHEMBL9029871 0.88 ALOX5 (0.35) ALOX5MAOAPPARG
SCHEMBL9030891 0.85 PPARA (0.40) ALOX5PPARG
SCHEMBL9030937 0.85 POLB (0.37) ALOX5
SCHEMBL9029136 0.85 ALOX5 (0.35) ALOX5MAOBPPARG
SCHEMBL9030461 0.84 ALOX5 (0.37) ALOX5
SCHEMBL9029933 0.82 ALOX5 (0.36) ALOX5MAOAPPARG
SCHEMBL9029953 0.82 PPARG (0.32) ALOX5MAOAMAOBPPARG
SCHEMBL9030826 0.82 ALOX5 (0.35) ALOX5PPARG
SCHEMBL6941867 0.81 MEN1 (0.43)

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
EP-0513285-A1 IMIDAZOL-2-YL DERIVATIVES OF SUBSTITUTED BICYCLIC COMPOUNDS AND PROCESS FOR THEIR PREPARATION. ERBA CARLO SPA (IT) 1992-11-19 EP disclosed