SCHEMBL6255472

SCHEMBL6255472

CC(C)(C)OC(=O)N1C2CCC1(C)CC(C#N)C2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
HPGD P15428 1/20 0.35
EPHX2 P34913 1/20 0.34
DPP4 P27487 1/20 0.34
CTSK P43235 1/20 0.33
RECQL P46063 1/20 0.33
MAPT P10636 2/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
GPR119 Q8TDV5 2/20 0.32
SPHK1 Q9NYA1 1/20 0.31
KDM1A O60341 1/20 0.31
DDB1 Q16531 1/20 0.31
CRBN Q96SW2 1/20 0.31
KDM4E B2RXH2 1/20 0.31
THRB P10828 1/20 0.31
PTPN2 P17706 1/20 0.31

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
SCHEMBL30967997 0.83 CHRM2 (0.40) CHRM2CHRM1CHRM3HPGDEPHX2
SCHEMBL22338022 0.81 CHRM2 (0.51) CHRM2CHRM1CHRM3HPGDEPHX2
SCHEMBL31249588 0.81 CHRM2 (0.51) CHRM2CHRM1CHRM3HPGDEPHX2
SCHEMBL6256937 0.79 CHRM2 (0.35) CHRM2CHRM1CHRM3DPP4CTSK
SCHEMBL23245696 0.79 CHRM2 (0.45) CHRM2CHRM1CHRM3HPGDCTSK
SCHEMBL25712548 0.79 CHRM2 (0.45) CHRM2CHRM1CHRM3HPGDCTSK
SCHEMBL30968082 0.75 CHRM2 (0.41) CHRM2CHRM1CHRM3HPGDCTSK
SCHEMBL16115131 0.72 CHRM2 (0.66) CHRM2CHRM1CHRM3HPGDDPP4
SCHEMBL16135448 0.72 CHRM2 (0.66) CHRM2CHRM1CHRM3HPGDDPP4
SCHEMBL796116 0.72 CHRM2 (0.66) CHRM2CHRM1CHRM3HPGDDPP4

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
WO-2005058317-A1 GLYCINE TRANSPORTER-1 INHIBIRORS GLAXO GROUP LIMITED (GB) 2005-06-30 WO disclosed