SCHEMBL6452592

SCHEMBL6452592

CCCCCC1CCC2CC(c3ccc4cc(C(F)(F)F)ccc4c3)CCC2C1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.35
CNR2 P34972 10/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
IDO1 P14902 1/20 0.33
LSS P48449 1/20 0.32
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 2/20 0.32
SLC6A3 Q01959 2/20 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
SCHEMBL6452587 1.00 DRD2 (0.35) DRD2CNR2GAAMAPTIDO1
SCHEMBL6456705 0.99 GAA (0.35) DRD2CNR2GAAMAPTIDO1
SCHEMBL6457258 0.99 GAA (0.35) DRD2CNR2GAAMAPTIDO1
SCHEMBL6456711 0.99 GAA (0.35) DRD2CNR2GAAMAPTIDO1
SCHEMBL6457265 0.99 GAA (0.35) DRD2CNR2GAAMAPTIDO1
SCHEMBL6456957 0.97 DRD2 (0.36) DRD2CNR2GAAMAPTIDO1
SCHEMBL6456961 0.97 DRD2 (0.36) DRD2CNR2GAAMAPTIDO1
SCHEMBL6460854 0.92 ALDH1A1 (0.38) DRD2MAPTIDO1SLC6A2SLC6A4
SCHEMBL6460852 0.92 ALDH1A1 (0.38) DRD2MAPTIDO1SLC6A2SLC6A4
SCHEMBL11141559 0.90 DRD2 (0.42) DRD2GAAMAPTIDO1LSS

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