SCHEMBL6454492

SCHEMBL6454492

CCCCCCC1CCC2C[C@H](c3ccc4cc(OC)c(F)c(F)c4c3F)CC[C@@H]2C1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.34
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
TRPV1 Q8NER1 3/20 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
SCHEMBL6458872 1.00 CNR2 (0.34) CNR2GAAMAPTTRPV1
SCHEMBL6458869 1.00 CNR2 (0.34) CNR2GAAMAPTTRPV1
SCHEMBL6454494 1.00 CNR2 (0.34) CNR2GAAMAPTTRPV1
SCHEMBL6459523 0.99 CNR2 (0.33) CNR2
SCHEMBL6459514 0.99 CNR2 (0.33) CNR2
SCHEMBL6459571 0.96 CNR2 (0.32) CNR2
SCHEMBL6459579 0.96 CNR2 (0.32) CNR2
SCHEMBL6456152 0.92 ALDH1A1 (0.32) MAPT
SCHEMBL6456149 0.92 ALDH1A1 (0.32) MAPT
SCHEMBL6458970 0.88 CNR2 (0.32) CNR2GAAMAPTTRPV1

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