SCHEMBL6457259

SCHEMBL6457259

CCCC1CCC2CC(c3cc4ccc(OC)c(F)c4c(F)c3F)CCC2C1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
HTR2A P28223 1/20 0.32
SLC6A2 P23975 2/20 0.30
SLC6A4 P31645 2/20 0.30
SLC6A3 Q01959 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
SCHEMBL6457254 1.00 ALDH1A1 (0.33) ALDH1A1MAPTHTTHTR2ASLC6A2
SCHEMBL6451303 0.94 DPP4 (0.32) HTTHTR2A
SCHEMBL6451299 0.94 DPP4 (0.32) HTTHTR2A
SCHEMBL6459153 0.93 CNR2 (0.32) HTR2ASLC6A2SLC6A4SLC6A3
SCHEMBL6459147 0.93 CNR2 (0.32) HTR2ASLC6A2SLC6A4SLC6A3
SCHEMBL6458970 0.92 CNR2 (0.32) MAPTHTR2ASLC6A2SLC6A4SLC6A3
SCHEMBL6458976 0.92 CNR2 (0.32) MAPTHTR2ASLC6A2SLC6A4SLC6A3
SCHEMBL6452422 0.92 CNR2 (0.32) MAPTHTR2ASLC6A2SLC6A4SLC6A3
SCHEMBL6452418 0.92 CNR2 (0.32) MAPTHTR2ASLC6A2SLC6A4SLC6A3
SCHEMBL6463692 0.91 HTR2A (0.33) HTR2A

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