SCHEMBL6454520

SCHEMBL6454520

CCCCC1CC[C@@H]2C[C@H](c3ccc(-c4ccc(OCC(F)(F)F)cc4)c(F)c3)CC[C@@H]2C1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FASN P49327 1/20 0.35
SCN9A Q15858 1/20 0.35
DRD2 P14416 1/20 0.34
DRD3 P35462 1/20 0.34
RAB9A P51151 1/20 0.33
S1PR1 P21453 2/20 0.32
S1PR3 Q99500 2/20 0.32
FFAR4 Q5NUL3 3/20 0.31
TRPV3 Q8NET8 1/20 0.31
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
LIPE Q05469 1/20 0.30
DGAT1 O75907 1/20 0.30
CACNA1G O43497 1/20 0.30
CACNA1H O95180 1/20 0.30
CACNA1I Q9P0X4 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
SCHEMBL6454522 1.00 FASN (0.35) FASNSCN9ADRD2DRD3RAB9A
SCHEMBL6455062 0.97 FASN (0.34) FASNSCN9ADRD2DRD3RAB9A
SCHEMBL6455067 0.97 FASN (0.34) FASNSCN9ADRD2DRD3RAB9A
SCHEMBL6452370 0.96 FASN (0.34) FASNSCN9ADRD2DRD3RAB9A
SCHEMBL6454256 0.96 FASN (0.34) FASNSCN9ADRD2DRD3RAB9A
SCHEMBL6454251 0.96 FASN (0.34) FASNSCN9ADRD2DRD3RAB9A
SCHEMBL6452376 0.96 FASN (0.34) FASNSCN9ADRD2DRD3RAB9A
SCHEMBL6450924 0.94 FASN (0.36) FASNSCN9ADRD2DRD3RAB9A
SCHEMBL6450921 0.94 FASN (0.36) FASNSCN9ADRD2DRD3RAB9A
SCHEMBL6458187 0.91 SCN9A (0.37) FASNSCN9ADRD2DRD3FFAR4

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