SCHEMBL6452363

SCHEMBL6452363

CCCCC1CC[C@@H]2C[C@H](c3ccc(-c4ccc(OCC(F)(F)F)c(F)c4)cc3)CC[C@@H]2C1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 2/20 0.38
KDM1A O60341 2/20 0.33
GRM2 Q14416 2/20 0.33
S1PR1 P21453 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
DGAT1 O75907 2/20 0.32
ESR2 Q92731 1/20 0.32
TLR9 Q9NR96 1/20 0.31
TLR8 Q9NR97 1/20 0.31
TLR7 Q9NYK1 1/20 0.31
FAAH O00519 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2B Q13224 1/20 0.31
CNR2 P34972 1/20 0.31
MGLL Q99685 1/20 0.31
AAK1 Q2M2I8 1/20 0.31
NR1H4 Q96RI1 1/20 0.30
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
SCHEMBL6452367 1.00 TNK2 (0.38) TNK2KDM1AGRM2S1PR1HRH3
SCHEMBL6450932 0.97 TNK2 (0.37) TNK2KDM1AGRM2S1PR1HRH3
SCHEMBL6450935 0.97 TNK2 (0.37) TNK2KDM1AGRM2S1PR1HRH3
SCHEMBL7923264 0.96 TNK2 (0.37) TNK2KDM1AGRM2S1PR1HRH3
SCHEMBL7923270 0.96 TNK2 (0.37) TNK2KDM1AGRM2S1PR1HRH3
SCHEMBL6453274 0.96 TNK2 (0.37) TNK2KDM1AGRM2S1PR1HRH3
SCHEMBL6453266 0.96 TNK2 (0.37) TNK2KDM1AGRM2S1PR1HRH3
SCHEMBL6454095 0.94 TNK2 (0.39) TNK2KDM1AGRM2HRH3DGAT1
SCHEMBL6454097 0.94 TNK2 (0.39) TNK2KDM1AGRM2HRH3DGAT1
SCHEMBL6450904 0.91 TNK2 (0.36) TNK2KDM1AGRM2DGAT1FAAH

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