SCHEMBL6454501

SCHEMBL6454501

CCCCCC1CC[C@@H]2C[C@H](c3ccc(-c4ccc(C5=NC(C)(C)CO5)cc4)c(F)c3)CC[C@@H]2C1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
HRH3 Q9Y5N1 3/20 0.33
CYP2D6 P10635 1/20 0.33
IL2 P60568 1/20 0.33
FASN P49327 1/20 0.32
GAA P10253 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
SCHEMBL6454504 1.00 MAPT (0.36) MAPTLMNAHTTHRH3CYP2D6
SCHEMBL6456483 0.99 MAPT (0.35) MAPTLMNAHTTHRH3CYP2D6
SCHEMBL6456489 0.99 MAPT (0.35) MAPTLMNAHTTHRH3CYP2D6
SCHEMBL6455353 0.99 MAPT (0.35) MAPTLMNAHTTHRH3CYP2D6
SCHEMBL6455355 0.99 MAPT (0.35) MAPTLMNAHTTHRH3CYP2D6
SCHEMBL6451882 0.97 LMNA (0.36) MAPTLMNAHTTHRH3CYP2D6
SCHEMBL6451879 0.97 LMNA (0.36) MAPTLMNAHTTHRH3CYP2D6
SCHEMBL6459915 0.94 LMNA (0.33) MAPTLMNAHTTFASN
SCHEMBL6459909 0.94 LMNA (0.33) MAPTLMNAHTTFASN
SCHEMBL6457687 0.94 LMNA (0.37) MAPTLMNAHTTHRH3CYP2D6

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