SCHEMBL3378411

SCHEMBL3378411

C#CCN(C(=O)OC(C)(C)C)[C@@H]1CCc2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOA P21397 6/20 0.56
MAOB P27338 6/20 0.56
ACHE P22303 6/20 0.44
BCHE P06276 2/20 0.41
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
ADRA1A P35348 1/20 0.40
HTR6 P50406 1/20 0.40

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
SCHEMBL3378409 1.00 MAOA (0.56) MAOAMAOBACHEBCHEADRA2B
SCHEMBL12171101 0.93 MAOA (0.48) MAOAMAOBACHE
SCHEMBL3299930 0.85 ACHE (0.49) MAOAMAOBACHEBCHE
SCHEMBL3300396 0.85 ACHE (0.49) MAOAMAOBACHEBCHE
SCHEMBL12450286 0.84 ACHE (0.41) MAOAMAOBACHEBCHE
SCHEMBL22186248 0.84 MAOA (0.52) MAOAMAOBACHEBCHEADRA2B
SCHEMBL5899449 0.84 ACHE (0.48) MAOAMAOBACHEBCHE
SCHEMBL3415286 0.84 MAOA (0.56) MAOAMAOBACHEBCHEADRA2B
SCHEMBL3415288 0.84 MAOA (0.56) MAOAMAOBACHEBCHEADRA2B
SCHEMBL3938891 0.83 MAOA (0.40) MAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010049379-A1 A PROCESS FOR THE PREPARATION OF (R)-I -AMINOINDANES CHEMO IBÉRICA, S.A. (ES) 2010-05-06 WO disclosed
WO-2010049379-A1 A PROCESS FOR THE PREPARATION OF (R)-I -AMINOINDANES CHEMO IBÉRICA, S.A. (ES) 2010-05-06 WO disclosed
EP-2181980-A1 A process for the preparation of (R)-1-aminoindanes Chemo Ibérica, S.A. (ES) 2010-05-05 EP disclosed
EP-2181980-A1 A process for the preparation of (R)-1-aminoindanes Chemo Ibérica, S.A. (ES) 2010-05-05 EP disclosed