SCHEMBL6453916

SCHEMBL6453916

CCCCCC1CC[C@@H]2C[C@H](c3cc(F)c(-c4ccc(C5=NC(C)(C)CO5)cc4)c(F)c3)CC[C@@H]2C1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
HRH3 Q9Y5N1 4/20 0.36
CYP2D6 P10635 1/20 0.36
GAA P10253 1/20 0.31
IL2 P60568 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
SCHEMBL6453922 1.00 MAPT (0.37) MAPTLMNAHTTHRH3CYP2D6
SCHEMBL6457076 0.99 MAPT (0.36) MAPTLMNAHTTHRH3CYP2D6
SCHEMBL6457081 0.99 MAPT (0.36) MAPTLMNAHTTHRH3CYP2D6
SCHEMBL6460871 0.99 MAPT (0.36) MAPTLMNAHTTHRH3CYP2D6
SCHEMBL6460867 0.99 MAPT (0.36) MAPTLMNAHTTHRH3CYP2D6
SCHEMBL6462881 0.97 LMNA (0.37) MAPTLMNAHTTHRH3CYP2D6
SCHEMBL6462884 0.97 LMNA (0.37) MAPTLMNAHTTHRH3CYP2D6
SCHEMBL6453202 0.94 LMNA (0.39) MAPTLMNAHTTHRH3CYP2D6
SCHEMBL6453199 0.94 LMNA (0.39) MAPTLMNAHTTHRH3CYP2D6
SCHEMBL6459599 0.92 LMNA (0.31) MAPTLMNAHTT

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