SCHEMBL6451879

SCHEMBL6451879

CCCCC1CC[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 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
HRH3 Q9Y5N1 4/20 0.34
CYP2D6 P10635 2/20 0.34
IL2 P60568 1/20 0.34
FASN P49327 1/20 0.33
APP P05067 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 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
SCHEMBL6451882 1.00 LMNA (0.36) LMNAMAPTHTTHRH3CYP2D6
SCHEMBL6454504 0.97 MAPT (0.36) LMNAMAPTHTTHRH3CYP2D6
SCHEMBL6454501 0.97 MAPT (0.36) LMNAMAPTHTTHRH3CYP2D6
SCHEMBL6456483 0.96 MAPT (0.35) LMNAMAPTHTTHRH3CYP2D6
SCHEMBL6455355 0.96 MAPT (0.35) LMNAMAPTHTTHRH3CYP2D6
SCHEMBL6455353 0.96 MAPT (0.35) LMNAMAPTHTTHRH3CYP2D6
SCHEMBL6456489 0.96 MAPT (0.35) LMNAMAPTHTTHRH3CYP2D6
SCHEMBL6457687 0.95 LMNA (0.37) LMNAMAPTHTTHRH3CYP2D6
SCHEMBL6457684 0.95 LMNA (0.37) LMNAMAPTHTTHRH3CYP2D6
SCHEMBL6455501 0.94 LMNA (0.34) LMNAMAPTHTTIL2FASN

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