SCHEMBL8501565

SCHEMBL8501565

CC(C)(C)OC(=O)C(C1CCNCC1)N(CCCc1ccccc1)C(=O)C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.36
MMP3 P08254 1/20 0.36
MMP9 P14780 1/20 0.36
OPRD1 P41143 1/20 0.35
AAK1 Q2M2I8 1/20 0.34
SLC6A2 P23975 3/20 0.34
SLC6A4 P31645 3/20 0.34
FDPS P14324 1/20 0.34
NAAA Q02083 1/20 0.34
FAAH O00519 3/20 0.33
CES1 P23141 3/20 0.33
ITGB3 P05106 2/20 0.33
ITGA2B P08514 2/20 0.33
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
ADRB3 P13945 1/20 0.33
MLYCD O95822 1/20 0.33

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
SCHEMBL27565064 0.88 SLC6A2 (0.38) OPRD1AAK1SLC6A2SLC6A4
SCHEMBL8500691 0.73 SLC6A2 (0.32) SLC6A2SLC6A4
SCHEMBL2800413 0.72 L3MBTL1 (0.42) SLC6A2SLC6A4
SCHEMBL7799840 0.71 POLB (0.41) MMP1MMP3MMP9OPRD1SLC6A2
SCHEMBL8703070 0.69 ITGA4 (0.42) MMP1MMP3MMP9ITGB3
SCHEMBL19260910 0.67 OPRM1 (0.45) SLC6A2SLC6A4
SCHEMBL7985858 0.67 KDM4E (0.49)
SCHEMBL22373000 0.66 ADRB2 (0.43) FAAHITGB3ITGA2BADRB2ADRB1
SCHEMBL8129250 0.66 CPN1 (0.50) OPRD1ITGB3ITGA2B
SCHEMBL22374186 0.65 MAPT (0.42) FAAHCES1ITGB3ITGA2BADRB2

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