SCHEMBL6455945

SCHEMBL6455945

CCCCC1CCC2CC(c3cc(F)c4cc(C#N)ccc4c3)CCC2C1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 8/20 0.33
LRRK2 Q5S007 3/20 0.33
SLC6A2 P23975 2/20 0.32
SLC6A3 Q01959 2/20 0.32
BCHE P06276 1/20 0.31
DRD3 P35462 2/20 0.31
CYP2D6 P10635 1/20 0.31
TSHR P16473 1/20 0.31
NFKB1 P19838 1/20 0.31
CASP1 P29466 1/20 0.31
DRD2 P14416 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL6455943 1.00 SLC6A4 (0.33) SLC6A4LRRK2SLC6A2SLC6A3BCHE
SCHEMBL6452378 0.97 SLC6A4 (0.33) SLC6A4LRRK2SLC6A2SLC6A3BCHE
SCHEMBL6452371 0.97 SLC6A4 (0.33) SLC6A4LRRK2SLC6A2SLC6A3BCHE
SCHEMBL6460921 0.96 GRM2 (0.33) SLC6A4LRRK2SLC6A2SLC6A3BCHE
SCHEMBL6451709 0.96 GRM2 (0.33) SLC6A4LRRK2SLC6A2SLC6A3BCHE
SCHEMBL6460925 0.96 GRM2 (0.33) SLC6A4LRRK2SLC6A2SLC6A3BCHE
SCHEMBL6451705 0.96 GRM2 (0.33) SLC6A4LRRK2SLC6A2SLC6A3BCHE
SCHEMBL6457373 0.94 SLC6A4 (0.34) SLC6A4LRRK2SLC6A2SLC6A3DRD3
SCHEMBL6457377 0.94 SLC6A4 (0.34) SLC6A4LRRK2SLC6A2SLC6A3DRD3
SCHEMBL6456881 0.90 SLC6A4 (0.34) SLC6A4LRRK2SLC6A2SLC6A3

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