SCHEMBL6451673

SCHEMBL6451673

CCC1CC[C@@H]2C[C@H](c3ccc(-c4ccc(C5=NC(C)(C)CO5)c(F)c4)c(F)c3)CC[C@@H]2C1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
IL2 P60568 1/20 0.32
CYP2D6 P10635 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31
FASN P49327 1/20 0.31
ATM Q13315 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
SCHEMBL6451680 1.00 LMNA (0.36) LMNAMAPTHTTIL2CYP2D6
SCHEMBL6461285 0.93 LMNA (0.39) LMNAMAPTHTTIL2CYP2D6
SCHEMBL6461290 0.93 LMNA (0.39) LMNAMAPTHTTIL2CYP2D6
SCHEMBL6455883 0.93 LMNA (0.36) LMNAMAPTHTTIL2CYP2D6
SCHEMBL6455887 0.93 LMNA (0.36) LMNAMAPTHTTIL2CYP2D6
SCHEMBL6460675 0.93 LMNA (0.35) LMNAMAPTHTTIL2CYP2D6
SCHEMBL6460677 0.93 LMNA (0.35) LMNAMAPTHTTIL2CYP2D6
SCHEMBL6451473 0.92 LMNA (0.35) LMNAMAPTHTTIL2CYP2D6
SCHEMBL6451478 0.92 LMNA (0.35) LMNAMAPTHTTIL2CYP2D6
SCHEMBL6458947 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