SCHEMBL6452806

SCHEMBL6452806

CCCCC1CC[C@@H]2C[C@H](c3ccc(-c4ccc(OC(F)(F)F)cc4)c(F)c3)CC[C@@H]2C1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.37
FASN P49327 2/20 0.34
MMP12 P39900 1/20 0.33
FFAR4 Q5NUL3 4/20 0.33
EPHX2 P34913 2/20 0.33
KDM1A O60341 1/20 0.32
RCOR1 Q9UKL0 1/20 0.32
SCN9A Q15858 1/20 0.32
FFAR1 O14842 1/20 0.31
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CNR1 P21554 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CHEK1 O14757 1/20 0.31
RAB9A P51151 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
SCHEMBL6452813 1.00 GRM2 (0.37) GRM2FASNMMP12FFAR4EPHX2
SCHEMBL6459857 0.97 GRM2 (0.36) GRM2FASNMMP12FFAR4EPHX2
SCHEMBL6459852 0.97 GRM2 (0.36) GRM2FASNMMP12FFAR4EPHX2
SCHEMBL6453644 0.96 GRM2 (0.36) GRM2FASNMMP12FFAR4EPHX2
SCHEMBL6457427 0.96 GRM2 (0.36) GRM2FASNMMP12FFAR4EPHX2
SCHEMBL6453639 0.96 GRM2 (0.36) GRM2FASNMMP12FFAR4EPHX2
SCHEMBL6457432 0.96 GRM2 (0.36) GRM2FASNMMP12FFAR4EPHX2
SCHEMBL6463242 0.94 GRM2 (0.38) GRM2FASNMMP12FFAR4EPHX2
SCHEMBL6463237 0.94 GRM2 (0.38) GRM2FASNMMP12FFAR4EPHX2
SCHEMBL6454325 0.92 SCN9A (0.34) GRM2FASNSCN9A

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