SCHEMBL6458191

SCHEMBL6458191

CCC1CCC2CC(c3ccc(-c4ccc(OCC(F)(F)F)cc4)c(F)c3)CCC2C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.37
FASN P49327 1/20 0.35
DRD2 P14416 1/20 0.34
DRD3 P35462 1/20 0.34
TRPV3 Q8NET8 1/20 0.34
FFAR4 Q5NUL3 5/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CACNA1G O43497 1/20 0.32
CACNA1H O95180 1/20 0.32
CACNA1I Q9P0X4 1/20 0.32
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31
WDR5 P61964 2/20 0.31
GRM2 Q14416 1/20 0.31
BACE1 P56817 1/20 0.31
BACE2 Q9Y5Z0 1/20 0.31
LIPE Q05469 1/20 0.30
GPR3 P46089 1/20 0.30
APP P05067 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
SCHEMBL6458187 1.00 SCN9A (0.37) SCN9AFASNDRD2DRD3TRPV3
SCHEMBL6450921 0.92 FASN (0.36) SCN9AFASNDRD2DRD3TRPV3
SCHEMBL6450924 0.92 FASN (0.36) SCN9AFASNDRD2DRD3TRPV3
SCHEMBL6454522 0.91 FASN (0.35) SCN9AFASNDRD2DRD3TRPV3
SCHEMBL6454520 0.91 FASN (0.35) SCN9AFASNDRD2DRD3TRPV3
SCHEMBL6455062 0.90 FASN (0.34) SCN9AFASNDRD2DRD3TRPV3
SCHEMBL6455067 0.90 FASN (0.34) SCN9AFASNDRD2DRD3TRPV3
SCHEMBL6454251 0.89 FASN (0.34) SCN9AFASNDRD2DRD3TRPV3
SCHEMBL6452370 0.89 FASN (0.34) SCN9AFASNDRD2DRD3TRPV3
SCHEMBL6454256 0.89 FASN (0.34) SCN9AFASNDRD2DRD3TRPV3

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