SCHEMBL6457023

SCHEMBL6457023

CCCCCC1CC[C@@H]2C[C@H](c3cc(F)c(-c4ccc(C5=NC(C)(C)CO5)c(F)c4)c(F)c3)CC[C@@H]2C1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
CYP2D6 P10635 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31

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
SCHEMBL6457029 1.00 LMNA (0.33) LMNAMAPTHTTCYP2D6HRH3
SCHEMBL6462528 0.99 MAPT (0.32) LMNAMAPTHTTCYP2D6HRH3
SCHEMBL6453062 0.99 MAPT (0.32) LMNAMAPTHTTCYP2D6HRH3
SCHEMBL6462522 0.99 MAPT (0.32) LMNAMAPTHTTCYP2D6HRH3
SCHEMBL6453057 0.99 MAPT (0.32) LMNAMAPTHTTCYP2D6HRH3
SCHEMBL6460676 0.97 LMNA (0.33) LMNAMAPTHTTCYP2D6HRH3
SCHEMBL6460672 0.97 LMNA (0.33) LMNAMAPTHTTCYP2D6HRH3
SCHEMBL6458600 0.94 LMNA (0.34) LMNAMAPTHTTCYP2D6HRH3
SCHEMBL6458603 0.94 LMNA (0.34) LMNAMAPTHTTCYP2D6HRH3
SCHEMBL6459915 0.92 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