SCHEMBL10913068

SCHEMBL10913068

CCN(CC)CCCOc1cccc2c1C(=O)N(CCCCO[N+](=O)[O-])C2=O

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 7/20 0.46
▸ ACHE P22303 7/20 0.46
▸ MAOB P27338 6/20 0.46
▸ APP P05067 1/20 0.42

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
SCHEMBL10912182 0.96 BCHE (0.44) BCHEACHEMAOBAPP
SCHEMBL10912465 0.94 MAOB (0.43) BCHEACHEMAOB
SCHEMBL10911938 0.93 MAOB (0.43) BCHEACHEMAOBAPP
SCHEMBL10909868 0.85 ALDH1A1 (0.46) MAOB
Diethylamine SCHEMBL10913070 0.84 RAB9A (0.39) —
SCHEMBL10912075 0.83 ALDH1A1 (0.47) —
Diethylamine SCHEMBL10912187 0.83 HTR1A (0.40) —
Dimethylamine SCHEMBL10913743 0.82 RAB9A (0.41) —
Dimethylamine SCHEMBL10909871 0.81 PDE10A (0.41) —
SCHEMBL10909846 0.81 RAB9A (0.36) BCHEACHEMAOB

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-0171977-A1 Phthalimide derivatives, compositions containing them and a process for preparing them SANKYO COMPANY LIMITED (JP) 1986-02-19 — — EP disclosed
Send feedback