SCHEMBL7923264

SCHEMBL7923264

CCCCCCCC1CC[C@@H]2C[C@H](c3ccc(-c4ccc(OCC(F)(F)F)c(F)c4)cc3)CC[C@@H]2C1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 2/20 0.37
MGLL Q99685 3/20 0.32
KDM1A O60341 2/20 0.32
GRM2 Q14416 2/20 0.32
S1PR1 P21453 2/20 0.32
HRH3 Q9Y5N1 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
S1PR4 O95977 1/20 0.31
S1PR3 Q99500 1/20 0.31
S1PR5 Q9H228 1/20 0.31
P2RY14 Q15391 1/20 0.31
TLR9 Q9NR96 1/20 0.31
TLR8 Q9NR97 1/20 0.31
TLR7 Q9NYK1 1/20 0.31
FAAH O00519 1/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2B Q13224 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
SCHEMBL6453266 1.00 TNK2 (0.37) TNK2MGLLKDM1AGRM2S1PR1
SCHEMBL6453274 1.00 TNK2 (0.37) TNK2MGLLKDM1AGRM2S1PR1
SCHEMBL7923270 1.00 TNK2 (0.37) TNK2MGLLKDM1AGRM2S1PR1
SCHEMBL6450935 0.99 TNK2 (0.37) TNK2MGLLKDM1AGRM2S1PR1
SCHEMBL6450932 0.99 TNK2 (0.37) TNK2MGLLKDM1AGRM2S1PR1
SCHEMBL6452363 0.96 TNK2 (0.38) TNK2MGLLKDM1AGRM2S1PR1
SCHEMBL6452367 0.96 TNK2 (0.38) TNK2MGLLKDM1AGRM2S1PR1
SCHEMBL6454095 0.92 TNK2 (0.39) TNK2KDM1AGRM2HRH3MAPT
SCHEMBL6454097 0.92 TNK2 (0.39) TNK2KDM1AGRM2HRH3MAPT
SCHEMBL6454877 0.91 TNK2 (0.35) TNK2MGLLKDM1AGRM2FAAH

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1108700-A1 DECAHYDRONAPHTHALENE DERIVATIVE DAINIPPON INK AND CHEMICALS, INC. (JP) 2001-06-20 EP disclosed