SCHEMBL6455887

SCHEMBL6455887

CCC1CCC2CC(c3ccc(-c4ccc(C5=NC(C)(C)CO5)c(F)c4)cc3)CCC2C1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
IL2 P60568 1/20 0.32
HRH3 Q9Y5N1 3/20 0.32
CYP2D6 P10635 2/20 0.32
ATM Q13315 1/20 0.31
APP P05067 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
FASN P49327 1/20 0.30
KDM4E B2RXH2 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
SCHEMBL6455883 1.00 LMNA (0.36) LMNAMAPTHTTIL2HRH3
SCHEMBL6451673 0.93 LMNA (0.36) LMNAMAPTHTTIL2HRH3
SCHEMBL6451680 0.93 LMNA (0.36) LMNAMAPTHTTIL2HRH3
SCHEMBL6454255 0.93 LMNA (0.35) LMNAMAPTHTTIL2HRH3
SCHEMBL6454249 0.93 LMNA (0.35) LMNAMAPTHTTIL2HRH3
SCHEMBL6456945 0.91 LMNA (0.34) LMNAMAPTHTTIL2HRH3
SCHEMBL6456950 0.91 LMNA (0.34) LMNAMAPTHTTIL2HRH3
SCHEMBL6451473 0.91 LMNA (0.35) LMNAMAPTHTTIL2HRH3
SCHEMBL6451478 0.91 LMNA (0.35) LMNAMAPTHTTIL2HRH3
SCHEMBL6456323 0.90 MAPT (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