SCHEMBL3376206

SCHEMBL3376206

CC(C)OC(=O)NC1CCc2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.52
PDE4B Q07343 1/20 0.52
PDE4C Q08493 1/20 0.52
PDE4D Q08499 1/20 0.52
PDPK1 O15530 1/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
MAPT P10636 1/20 0.50
TSHR P16473 1/20 0.50
TAS1R3 Q7RTX0 3/20 0.49
TAS1R1 Q7RTX1 3/20 0.49
TAS1R2 Q8TE23 2/20 0.48
HTT P42858 1/20 0.48
ALDH1A1 P00352 2/20 0.47
USP2 O75604 1/20 0.47
PLA2G1B P04054 1/20 0.47
ATG4B Q9Y4P1 1/20 0.47
EPHX2 P34913 2/20 0.47
PDE10A Q9Y233 1/20 0.47
PSEN1 P49768 1/20 0.47

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
SCHEMBL3413387 1.00 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DPDPK1
SCHEMBL27965166 0.86 PDPK1 (0.49) PDE4APDE4BPDE4CPDE4DPDPK1
SCHEMBL24105930 0.81 PDPK1 (0.56) PDE4APDE4BPDE4CPDE4DPDPK1
SCHEMBL14521490 0.81 PDPK1 (0.56) PDE4APDE4BPDE4CPDE4DPDPK1
SCHEMBL19114860 0.81 PDPK1 (0.56) PDE4APDE4BPDE4CPDE4DPDPK1
SCHEMBL30047267 0.80 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DPDPK1
SCHEMBL3375618 0.80 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DPDPK1
SCHEMBL3375614 0.80 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DPDPK1
SCHEMBL30468602 0.80 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DPDPK1
SCHEMBL30407788 0.79 ALDH1A1 (0.55) PDE4APDE4BPDE4CPDE4DPDPK1

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
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