SCHEMBL28118094

SCHEMBL28118094

CCOC(=O)N1CCC(C(=O)C2CCN(C(=O)OCC)CC2)CC1

nearest known ligand 0.73

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.73
CHRM1 P11229 1/20 0.61
ALDH1A1 P00352 6/20 0.59
L3MBTL1 Q9Y468 2/20 0.57
THRB P10828 1/20 0.57
ATM Q13315 1/20 0.57
MAPT P10636 4/20 0.57
PKM P14618 1/20 0.56
HTT P42858 2/20 0.55
NOS3 P29474 1/20 0.54
NOS2 P35228 1/20 0.54
TSHR P16473 2/20 0.53
POLB P06746 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
LMNA P02545 1/20 0.51
CCR6 P51684 1/20 0.50

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
SCHEMBL4210140 0.86 GAA (0.71) GAACHRM1ALDH1A1L3MBTL1THRB
SCHEMBL1720494 0.86 MAPT (0.72) GAACHRM1ALDH1A1L3MBTL1THRB
SCHEMBL12436957 0.86 GAA (0.71) GAACHRM1ALDH1A1L3MBTL1THRB
SCHEMBL3629079 0.86 GAA (0.70) GAACHRM1ALDH1A1L3MBTL1THRB
SCHEMBL14253608 0.85 GAA (0.69) GAACHRM1ALDH1A1L3MBTL1THRB
SCHEMBL5822642 0.85 GAA (1.00) GAACHRM1ALDH1A1L3MBTL1THRB
SCHEMBL7771034 0.85 GAA (0.69) GAACHRM1ALDH1A1L3MBTL1THRB
SCHEMBL5492178 0.85 GAA (0.69) GAACHRM1ALDH1A1L3MBTL1THRB
SCHEMBL27417579 0.85 GAA (0.69) GAACHRM1ALDH1A1L3MBTL1THRB
SCHEMBL1111736 0.83 GAA (0.67) GAACHRM1ALDH1A1L3MBTL1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106188043-A Tetracyclic compound 梅迪维新技术公司 2016-12-07 CN disclosed