SCHEMBL2464800

SCHEMBL2464800

CCS(=O)(=O)N(NC1CCc2ccccc21)C1CCc2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
MAOA P21397 4/20 0.48
MAOB P27338 4/20 0.48
PDPK1 O15530 1/20 0.48
BCHE P06276 1/20 0.45
ADRA2B P18089 1/20 0.45
ADRA2C P18825 1/20 0.45
ACHE P22303 1/20 0.45
ADRA1A P35348 1/20 0.45
HTR6 P50406 1/20 0.45
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
HTT P42858 1/20 0.41
DRD2 P14416 1/20 0.40
TSHR P16473 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL2466866 0.80 CA1 (0.50) CA1CA2MAOAMAOBPDPK1
SCHEMBL7073188 0.77 MAOA (0.52) CA1CA2MAOAMAOBHTT
SCHEMBL6932031 0.77 MAOA (0.52) CA1CA2MAOAMAOBHTT
SCHEMBL6932458 0.73 CA1 (0.67) CA1CA2MAOAMAOBPDPK1
SCHEMBL2464696 0.73 CA1 (0.67) CA1CA2MAOAMAOBPDPK1
SCHEMBL6937422 0.73 CA1 (0.67) CA1CA2MAOAMAOBPDPK1
SCHEMBL8173197 0.70 HTT (0.56) MAOAMAOBHTTALDH1A1PER2
SCHEMBL13911216 0.69 MAOA (0.64) CA1CA2MAOAMAOBPDPK1
SCHEMBL16886879 0.69 CA1 (0.71) CA1CA2MAOAMAOBPDPK1
SCHEMBL172262 0.69 MAOA (0.64) CA1CA2MAOAMAOBPDPK1

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
JP-4782252-B2 2011-09-28 JP claimed
EP-0738149-A4 1-AMINOINDAN DERIVATIVES AND COMPOSITIONS THEREOF TEVA PHARMA (IL) 1999-10-27 EP claimed
EP-0738149-A1 1-AMINOINDAN DERIVATIVES AND COMPOSITIONS THEREOF TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 1996-10-23 EP claimed
WO-1995018617-A1 1-AMINOINDAN DERIVATIVES AND COMPOSITIONS THEREOF TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 1995-07-13 WO claimed