SCHEMBL6452845

SCHEMBL6452845

CCCCCCC[C@@H]1CC[C@@H]2CC(c3ccc4c(F)c(C#N)ccc4c3)CCC2C1

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
GRM2 Q14416 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
SCHEMBL6452851 1.00 GAA (0.31) GAAMAPTGRM2
SCHEMBL6455432 1.00 GAA (0.31) GAAMAPTGRM2
SCHEMBL6455430 1.00 GAA (0.31) GAAMAPTGRM2
SCHEMBL6453099 0.99
SCHEMBL6453094 0.99
SCHEMBL6459104 0.96 SLC6A4 (0.30)
SCHEMBL6459100 0.96 SLC6A4 (0.30)
SCHEMBL6455754 0.92 SLC6A4 (0.31) MAPT
SCHEMBL6455758 0.92 SLC6A4 (0.31) MAPT
SCHEMBL3259061 0.90 MAPT (0.35) GAAMAPTGRM2

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