SCHEMBL5670535

SCHEMBL5670535

CC(C)OC1CCCC(N(CC(O)C(F)(F)F)C(C)c2ccccc2C(F)(F)F)C1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 5/20 0.33
SLC6A4 P31645 5/20 0.33
SLC6A3 Q01959 2/20 0.33
MC4R P32245 1/20 0.33
FFAR1 O14842 1/20 0.33
CETP P11597 4/20 0.32
FFAR4 Q5NUL3 1/20 0.31
ADRA2A P08913 1/20 0.30
ADRA2B P18089 1/20 0.30
ADRA2C P18825 1/20 0.30
PER2 O15055 1/20 0.30
CRY1 Q16526 1/20 0.30
CRY2 Q49AN0 1/20 0.30

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
SCHEMBL5672351 0.90 SLC6A2 (0.33) SLC6A2SLC6A4SLC6A3MC4RFFAR1
SCHEMBL1896263 0.80 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3
SCHEMBL993040 0.76 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3
SCHEMBL7782487 0.74 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3CETPPER2
SCHEMBL992716 0.72 SLC6A2 (0.54) SLC6A2SLC6A4SLC6A3CETP
SCHEMBL995174 0.70 SLC6A2 (0.51) SLC6A2SLC6A4CETP
SCHEMBL993525 0.69 IDH1 (0.35) CETP
SCHEMBL5670533 0.69 CETP (0.43) SLC6A2SLC6A4CETP
SCHEMBL5995236 0.69 SLC6A2 (0.59) SLC6A2SLC6A4SLC6A3
SCHEMBL992714 0.68 CETP (0.55) CETP

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-1670446-A2 METHOD OF INHIBITING REMNANT LIPOPROTEIN PRODUCTION JAPAN TOBACCO INC. (JP) 2006-06-21 EP claimed
WO-2005030185-A2 METHOD OF INHIBITING REMNANT LIPOPROTEIN PRODUCTION JAPAN TOBACCO INC. (JP) 2005-04-07 WO claimed