SCHEMBL6456950

SCHEMBL6456950

CCCCC1CCC2CC(c3ccc(-c4ccc(C5=NC(C)(C)CO5)c(F)c4)cc3)CCC2C1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
ESR2 Q92731 1/20 0.32
IL2 P60568 1/20 0.30
CYP2D6 P10635 1/20 0.30
HRH3 Q9Y5N1 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
SCHEMBL6456945 1.00 LMNA (0.34) LMNAMAPTHTTESR2IL2
SCHEMBL6456323 0.97 MAPT (0.34) LMNAMAPTHTTIL2
SCHEMBL6456329 0.97 MAPT (0.34) LMNAMAPTHTTIL2
SCHEMBL6456061 0.96 MAPT (0.33) LMNAMAPTHTT
SCHEMBL6453085 0.96 MAPT (0.33) LMNAMAPTHTT
SCHEMBL6456064 0.96 MAPT (0.33) LMNAMAPTHTT
SCHEMBL6453080 0.96 MAPT (0.33) LMNAMAPTHTT
SCHEMBL6454255 0.95 LMNA (0.35) LMNAMAPTHTTIL2CYP2D6
SCHEMBL6454249 0.95 LMNA (0.35) LMNAMAPTHTTIL2CYP2D6
SCHEMBL6455506 0.94 LMNA (0.34) LMNAMAPTHTTIL2

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