SCHEMBL6460107

SCHEMBL6460107

CCC1CCC2CC(c3ccc(-c4ccc(OC(F)(F)C(F)F)c(F)c4)c(F)c3)CCC2C1

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 4/20 0.31
FASN P49327 1/20 0.31
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 1/20 0.30
GRM2 Q14416 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
SCHEMBL6460102 1.00 KDM1A (0.31) KDM1AFASNSLC6A2SLC6A4SLC6A3
SCHEMBL6456418 0.93 FASN (0.31) FASN
SCHEMBL6456423 0.93 FASN (0.31) FASN
SCHEMBL6455576 0.91 CTSK (0.37) KDM1AFASNGRM2
SCHEMBL6455580 0.91 CTSK (0.37) KDM1AFASNGRM2
SCHEMBL6460159 0.91 FASN (0.31) FASN
SCHEMBL6460156 0.91 FASN (0.31) FASN
SCHEMBL6452912 0.90 GRIN1 (0.32) KDM1ASLC6A2SLC6A4SLC6A3
SCHEMBL6452906 0.90 GRIN1 (0.32) KDM1ASLC6A2SLC6A4SLC6A3
SCHEMBL6451016 0.90 FASN (0.30) FASN

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