SCHEMBL6459183

SCHEMBL6459183

CCCC1CC[C@@H]2C[C@H](c3ccc(-c4ccc(OC(F)(F)C(F)F)cc4)c(F)c3)CC[C@@H]2C1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.35
FASN P49327 1/20 0.34
CETP P11597 1/20 0.32
GRM2 Q14416 1/20 0.31
CYP2C9 P11712 2/20 0.31
CYP3A4 P08684 1/20 0.31
APP P05067 1/20 0.31

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
SCHEMBL6459185 1.00 SCN9A (0.35) SCN9AFASNCETPGRM2CYP2C9
SCHEMBL6454325 0.94 SCN9A (0.34) SCN9AFASNCETPGRM2
SCHEMBL6454324 0.94 SCN9A (0.34) SCN9AFASNCETPGRM2
SCHEMBL6464455 0.94 SCN9A (0.34) SCN9AFASNCETPGRM2
SCHEMBL6464452 0.94 SCN9A (0.34) SCN9AFASNCETPGRM2
SCHEMBL6452201 0.93 SCN9A (0.33) SCN9AFASNCETP
SCHEMBL6453055 0.93 SCN9A (0.33) SCN9AFASNCETP
SCHEMBL6453047 0.93 SCN9A (0.33) SCN9AFASNCETP
SCHEMBL6452205 0.93 SCN9A (0.33) SCN9AFASNCETP
SCHEMBL6453787 0.92 SCN9A (0.36) SCN9AFASNCETPGRM2CYP2C9

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