SCHEMBL6463305

SCHEMBL6463305

CCCCCC1CCC2CC(c3ccc4cc(C(F)(F)F)c(F)cc4c3)CCC2C1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.32
SLC6A2 P23975 2/20 0.32
SLC6A3 Q01959 2/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
KDM1A O60341 1/20 0.30
DRD2 P14416 1/20 0.30
CNR2 P34972 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
SCHEMBL6463303 1.00 SLC6A4 (0.32) SLC6A4SLC6A2SLC6A3GAAMAPT
SCHEMBL7920015 0.99 GAA (0.33) SLC6A4SLC6A2SLC6A3GAAMAPT
SCHEMBL6460013 0.99 GAA (0.33) SLC6A4SLC6A2SLC6A3GAAMAPT
SCHEMBL7920014 0.99 GAA (0.33) SLC6A4SLC6A2SLC6A3GAAMAPT
SCHEMBL6460019 0.99 GAA (0.33) SLC6A4SLC6A2SLC6A3GAAMAPT
SCHEMBL6452429 0.97 SLC6A4 (0.33) SLC6A4SLC6A2SLC6A3GAAMAPT
SCHEMBL6452425 0.97 SLC6A4 (0.33) SLC6A4SLC6A2SLC6A3GAAMAPT
SCHEMBL7911060 0.93 CYP2C9 (0.34) SLC6A4SLC6A2SLC6A3MAPTKDM1A
SCHEMBL7911063 0.93 CYP2C9 (0.34) SLC6A4SLC6A2SLC6A3MAPTKDM1A
SCHEMBL6450891 0.90 SLC6A4 (0.36) SLC6A4SLC6A2SLC6A3GAAMAPT

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
US-6913797-B1 Decahydronaphthalene derivative DAINIPPON INK AND CHEMICALS, INC. (JP) 2005-07-05 US disclosed
EP-1108700-A1 DECAHYDRONAPHTHALENE DERIVATIVE DAINIPPON INK AND CHEMICALS, INC. (JP) 2001-06-20 EP disclosed