SCHEMBL6456597

SCHEMBL6456597

CC1CC[C@@H]2C[C@H](c3ccc(-c4ccc(OC(F)F)c(F)c4)c(F)c3)CC[C@@H]2C1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FASN P49327 1/20 0.35
KDM1A O60341 2/20 0.33
GRM2 Q14416 3/20 0.33
APP P05067 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
ESR1 P03372 2/20 0.30
HIF1A Q16665 1/20 0.30
NAAA Q02083 1/20 0.30
PDE4D Q08499 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
SCHEMBL6456600 1.00 FASN (0.35) FASNKDM1AGRM2APPSLC6A2
SCHEMBL6455560 0.89 KDM1A (0.44) FASNKDM1ASLC6A2SLC6A4SLC6A3
SCHEMBL6455561 0.89 KDM1A (0.44) FASNKDM1ASLC6A2SLC6A4SLC6A3
SCHEMBL6455023 0.89 GRM2 (0.35) KDM1AGRM2SLC6A2SLC6A4SLC6A3
SCHEMBL6455027 0.89 GRM2 (0.35) KDM1AGRM2SLC6A2SLC6A4SLC6A3
SCHEMBL18134246 0.89 FASN (0.39) FASNKDM1AGRM2APPPDE4D
SCHEMBL6455076 0.87 FASN (0.34) FASNAPP
SCHEMBL6455071 0.87 FASN (0.34) FASNAPP
SCHEMBL6460319 0.87 GRM2 (0.34) KDM1AGRM2SLC6A2SLC6A4SLC6A3
SCHEMBL6456899 0.87 FASN (0.37) FASNGRM2APP

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