SCHEMBL6464452

SCHEMBL6464452

CCCCCC1CC[C@@H]2C[C@H](c3ccc(-c4ccc(OC(F)(F)C(F)F)cc4)c(F)c3)CC[C@@H]2C1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.34
FASN P49327 1/20 0.33
RORC P51449 3/20 0.31
CETP P11597 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
RORA P35398 1/20 0.30
NR1H4 Q96RI1 1/20 0.30
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
SCHEMBL6464455 1.00 SCN9A (0.34) SCN9AFASNRORCCETPGAA
SCHEMBL6453055 0.99 SCN9A (0.33) SCN9AFASNRORCCETPGAA
SCHEMBL6453047 0.99 SCN9A (0.33) SCN9AFASNRORCCETPGAA
SCHEMBL6452201 0.99 SCN9A (0.33) SCN9AFASNRORCCETPGAA
SCHEMBL6452205 0.99 SCN9A (0.33) SCN9AFASNRORCCETPGAA
SCHEMBL6454324 0.97 SCN9A (0.34) SCN9AFASNRORCCETPGRM2
SCHEMBL6454325 0.97 SCN9A (0.34) SCN9AFASNRORCCETPGRM2
SCHEMBL6459185 0.94 SCN9A (0.35) SCN9AFASNCETPGRM2
SCHEMBL6459183 0.94 SCN9A (0.35) SCN9AFASNCETPGRM2
SCHEMBL6459857 0.92 GRM2 (0.36) SCN9AFASNGRM2

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