SCHEMBL622835

SCHEMBL622835

C#CCN(C)CCc1ccc(OC(=O)CC(O)(CC(=O)O)C(=O)O)c2ncccc12

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAOA P21397 6/20 0.56
MAOB P27338 6/20 0.56
ACHE P22303 3/20 0.55
BCHE P06276 2/20 0.55
BACE1 P56817 1/20 0.43
SLC13A5 Q86YT5 4/20 0.39
KDM4E B2RXH2 3/20 0.36
LMNA P02545 2/20 0.36
GAA P10253 1/20 0.36
BRD4 O60885 3/20 0.36

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
SCHEMBL626003 0.77 MAOB (0.78) MAOAMAOBACHEBCHEBACE1
SCHEMBL620669 0.73 MAOA (1.00) MAOAMAOBACHEBCHEBACE1
Hydrochloric Acid SCHEMBL620552 0.72 MAOA (0.98) MAOAMAOBACHEBCHEBACE1
Hydrochloric Acid SCHEMBL621934 0.72 MAOA (0.98) MAOAMAOBACHEBCHEBACE1
SCHEMBL608520 0.72 ACHE (1.00) MAOAMAOBACHEBCHEBACE1
SCHEMBL152388 0.71 LMNA (0.56) SLC13A5KDM4ELMNAGAA
SCHEMBL608751 0.70 ACHE (0.81) MAOAMAOBACHEBCHEBACE1
SCHEMBL609069 0.69 ACHE (0.83) MAOAMAOBACHEBCHEBACE1
SCHEMBL610508 0.69 ACHE (0.83) MAOAMAOBACHEBCHEBACE1
SCHEMBL608665 0.69 ACHE (0.75) MAOAMAOBACHEBCHEBACE1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2603492-A1 NEUROPROTECTIVE AND NEURO-RESTORATIVE IRON CHELATORS AND MONOAMINE OXIDASE INHIBITORS AND USES THEREOF Varinel Inc. (US) 2013-06-19 EP disclosed
WO-2012020389-A1 NEUROPROTECTIVE AND NEURO-RESTORATIVE IRON CHELATORS AND MONOAMINE OXIDASE INHIBITORS AND USES THEREOF VARINEL INC (US) 2012-02-16 WO disclosed