SCHEMBL6460925

SCHEMBL6460925

CCCCCCC1CCC2CC(c3cc(F)c4cc(C#N)ccc4c3)CCC2C1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 2/20 0.33
SLC6A4 P31645 8/20 0.32
LRRK2 Q5S007 3/20 0.32
SLC6A2 P23975 2/20 0.31
SLC6A3 Q01959 2/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
BCHE P06276 1/20 0.30
DRD3 P35462 2/20 0.30
CYP2D6 P10635 1/20 0.30
TSHR P16473 1/20 0.30
NFKB1 P19838 1/20 0.30
CASP1 P29466 1/20 0.30
DRD2 P14416 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
SCHEMBL6451705 1.00 GRM2 (0.33) GRM2SLC6A4LRRK2SLC6A2SLC6A3
SCHEMBL6451709 1.00 GRM2 (0.33) GRM2SLC6A4LRRK2SLC6A2SLC6A3
SCHEMBL6460921 1.00 GRM2 (0.33) GRM2SLC6A4LRRK2SLC6A2SLC6A3
SCHEMBL6452378 0.99 SLC6A4 (0.33) GRM2SLC6A4LRRK2SLC6A2SLC6A3
SCHEMBL6452371 0.99 SLC6A4 (0.33) GRM2SLC6A4LRRK2SLC6A2SLC6A3
SCHEMBL6455943 0.96 SLC6A4 (0.33) SLC6A4LRRK2SLC6A2SLC6A3BCHE
SCHEMBL6455945 0.96 SLC6A4 (0.33) SLC6A4LRRK2SLC6A2SLC6A3BCHE
SCHEMBL6457373 0.92 SLC6A4 (0.34) SLC6A4LRRK2SLC6A2SLC6A3DRD3
SCHEMBL6457377 0.92 SLC6A4 (0.34) SLC6A4LRRK2SLC6A2SLC6A3DRD3
SCHEMBL6456885 0.88 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