SCHEMBL6458977

SCHEMBL6458977

CCC1CCC2CC(c3ccc(-c4cc(F)c(C5=NC(C)(C)CO5)c(F)c4)cc3)CCC2C1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
HRH3 Q9Y5N1 3/20 0.32
CYP2D6 P10635 1/20 0.32
IL2 P60568 1/20 0.31
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
SCHEMBL6458972 1.00 LMNA (0.37) LMNAMAPTHTTHRH3CYP2D6
SCHEMBL6458656 0.92 LMNA (0.36) LMNAMAPTHTTHRH3CYP2D6
SCHEMBL6458661 0.92 LMNA (0.36) LMNAMAPTHTTHRH3CYP2D6
SCHEMBL6454210 0.91 LMNA (0.35) LMNAMAPTHTTHRH3CYP2D6
SCHEMBL6454216 0.91 LMNA (0.35) LMNAMAPTHTTHRH3CYP2D6
SCHEMBL6460245 0.90 LMNA (0.34) LMNAMAPTHTTHRH3CYP2D6
SCHEMBL6460239 0.90 LMNA (0.34) LMNAMAPTHTTHRH3CYP2D6
SCHEMBL6464324 0.90 MAPT (0.34) LMNAMAPTHTTHRH3CYP2D6
SCHEMBL6464328 0.90 MAPT (0.34) LMNAMAPTHTTHRH3CYP2D6
SCHEMBL6458947 0.90 LMNA (0.33) LMNAMAPTHTT

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