SCHEMBL6459147

SCHEMBL6459147

CCCCCC1CCC2C[C@H](c3cc4ccc(OC)c(F)c4c(F)c3F)CC[C@@H]2C1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.32
TRPV1 Q8NER1 3/20 0.31
SLC6A2 P23975 2/20 0.30
SLC6A4 P31645 2/20 0.30
SLC6A3 Q01959 2/20 0.30
HTR2A P28223 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
SCHEMBL6459153 1.00 CNR2 (0.32) CNR2TRPV1SLC6A2SLC6A4SLC6A3
SCHEMBL6458970 0.99 CNR2 (0.32) CNR2TRPV1SLC6A2SLC6A4SLC6A3
SCHEMBL6458976 0.99 CNR2 (0.32) CNR2TRPV1SLC6A2SLC6A4SLC6A3
SCHEMBL6452418 0.99 CNR2 (0.32) CNR2TRPV1SLC6A2SLC6A4SLC6A3
SCHEMBL6452422 0.99 CNR2 (0.32) CNR2TRPV1SLC6A2SLC6A4SLC6A3
SCHEMBL6451299 0.97 DPP4 (0.32) CNR2HTR2A
SCHEMBL6451303 0.97 DPP4 (0.32) CNR2HTR2A
SCHEMBL6457254 0.93 ALDH1A1 (0.33) SLC6A2SLC6A4SLC6A3HTR2A
SCHEMBL6457259 0.93 ALDH1A1 (0.33) SLC6A2SLC6A4SLC6A3HTR2A
SCHEMBL6463692 0.89 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