SCHEMBL626003

SCHEMBL626003

C#CCN(C)CCc1ccc(OC)c2ncccc12

nearest known ligand 0.78

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOB P27338 9/20 0.78
MAOA P21397 6/20 0.78
ACHE P22303 2/20 0.57
BCHE P06276 1/20 0.57
BACE1 P56817 1/20 0.54
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
GLA P06280 1/20 0.42
TSHR P16473 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
PYCR1 P32322 1/20 0.41
GAA P10253 1/20 0.41
PDE10A Q9Y233 1/20 0.38

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
SCHEMBL10156171 0.88 MAOA (1.00) MAOBMAOAACHEBCHEBACE1
SCHEMBL620669 0.83 MAOA (1.00) MAOBMAOAACHEBCHEBACE1
Hydrochloric Acid SCHEMBL621934 0.82 MAOA (0.98) MAOBMAOAACHEBCHEBACE1
Hydrochloric Acid SCHEMBL620552 0.82 MAOA (0.98) MAOBMAOAACHEBCHEBACE1
SCHEMBL10156577 0.81 MAOB (0.60) MAOBMAOAACHEBCHEBACE1
SCHEMBL622835 0.77 MAOA (0.56) MAOBMAOAACHEBCHEBACE1
SCHEMBL15854517 0.76 MAOA (0.78) MAOBMAOAACHEBCHEBACE1
SCHEMBL621285 0.76 MAOA (1.00) MAOBMAOAACHEBCHEBACE1
Hydrochloric Acid SCHEMBL621870 0.75 MAOA (0.98) MAOBMAOAACHEBCHEBACE1
SCHEMBL621841 0.75 MAOA (0.69) MAOBMAOAACHEBCHEBACE1

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