SCHEMBL8527336

SCHEMBL8527336

CCCCOC(=O)N1CC(C)N(CCCc2ccccc2)C(C)C1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.51
OPRM1 P35372 3/20 0.51
HTR2A P28223 2/20 0.51
ADORA3 P0DMS8 1/20 0.51
HTR7 P34969 1/20 0.51
HTR1A P08908 1/20 0.44
DRD4 P21917 1/20 0.44
HRH1 P35367 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
CTSK P43235 1/20 0.42
ALDH1A1 P00352 1/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
OPRD1 P41143 1/20 0.41
OPRK1 P41145 1/20 0.41

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
SCHEMBL8503604 0.87 OPRD1 (0.48) SIGMAR1OPRM1HTR2AADORA3HTR7
SCHEMBL7985869 0.81 SIGMAR1 (0.50) SIGMAR1OPRM1
SCHEMBL7985865 0.81 SIGMAR1 (0.50) SIGMAR1OPRM1
SCHEMBL3932037 0.78 PPARG (0.45) SIGMAR1OPRM1HTR2AADORA3HTR7
SCHEMBL30199385 0.77 HTR2C (0.51) SIGMAR1OPRM1HTR2AHTR1AHRH1
SCHEMBL30199508 0.76 HTR2C (0.50) SIGMAR1OPRM1HTR2AHTR1AHRH1
SCHEMBL20224788 0.75 GAA (0.39) L3MBTL1ALDH1A1TSHR
SCHEMBL30199651 0.74 HTR2C (0.53) SIGMAR1HTR2AHTR1AHRH1ALDH1A1
SCHEMBL31679608 0.74 HTR2C (0.46) SIGMAR1OPRM1HTR2AHTR1AHRH1
SCHEMBL7874873 0.74 ADORA3 (0.46) SIGMAR1OPRM1HTR2AADORA3HTR7

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
EP-0915888-A1 FUSED IMIDAZOPYRIDINE DERIVATIVES AS ANTIHYPERLIPIDEMIC AGENTS Takeda Chemical Industries, Ltd. (JP) 1999-05-19 EP disclosed
WO-1997040051-A1 FUSED IMIDAZOPYRIDINE DERIVATIVES AS ANTIHYPERLIPIDEMIC AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-10-30 WO disclosed