SCHEMBL6454479

SCHEMBL6454479

CCCCCCCC1CCC2CC(c3ccc4cc(F)c(F)cc4c3)CCC2C1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 9/20 0.36
SLC6A2 P23975 8/20 0.36
SLC6A3 Q01959 8/20 0.36
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
DRD2 P14416 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C8 P10632 1/20 0.33
S1PR3 Q99500 1/20 0.33
SPHK1 Q9NYA1 2/20 0.32
S1PR1 P21453 4/20 0.32
S1PR4 O95977 1/20 0.32
S1PR5 Q9H228 1/20 0.32

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
SCHEMBL6454474 1.00 SLC6A4 (0.36) SLC6A4SLC6A2SLC6A3GAAMAPT
SCHEMBL6453169 1.00 SLC6A4 (0.36) SLC6A4SLC6A2SLC6A3GAAMAPT
SCHEMBL6453164 1.00 SLC6A4 (0.36) SLC6A4SLC6A2SLC6A3GAAMAPT
SCHEMBL6450891 0.99 SLC6A4 (0.36) SLC6A4SLC6A2SLC6A3GAAMAPT
SCHEMBL6450888 0.99 SLC6A4 (0.36) SLC6A4SLC6A2SLC6A3GAAMAPT
SCHEMBL6455133 0.95 SLC6A4 (0.37) SLC6A4SLC6A2SLC6A3GAAMAPT
SCHEMBL6455135 0.95 SLC6A4 (0.37) SLC6A4SLC6A2SLC6A3GAAMAPT
SCHEMBL6451609 0.92 SLC6A4 (0.33) SLC6A4SLC6A2SLC6A3GAAMAPT
SCHEMBL6457662 0.92 SLC6A4 (0.33) SLC6A4SLC6A2SLC6A3GAAMAPT
SCHEMBL6457659 0.92 SLC6A4 (0.33) 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