SCHEMBL6453653

SCHEMBL6453653

CCC1CCC2CC(c3ccc(-c4ccc(OCC(F)(F)F)cc4)cc3)CCC2C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 1/20 0.37
CACNA1H O95180 1/20 0.37
CACNA1I Q9P0X4 1/20 0.37
RAB9A P51151 2/20 0.36
SCN5A Q14524 1/20 0.34
DRD2 P14416 1/20 0.34
DRD3 P35462 1/20 0.34
LIPE Q05469 7/20 0.34
DGAT1 O75907 2/20 0.33
TRPV3 Q8NET8 1/20 0.32
CARM1 Q86X55 1/20 0.32
PRMT6 Q96LA8 1/20 0.32
NPC1 O15118 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP17A1 P05093 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL6453648 1.00 CACNA1G (0.37) CACNA1GCACNA1HCACNA1IRAB9ASCN5A
SCHEMBL6452439 0.91 CACNA1G (0.38) CACNA1GCACNA1HCACNA1IRAB9ASCN5A
SCHEMBL6452432 0.91 CACNA1G (0.38) CACNA1GCACNA1HCACNA1IRAB9ASCN5A
SCHEMBL6458218 0.89 RAB9A (0.40) CACNA1GCACNA1HCACNA1IRAB9ASCN5A
SCHEMBL6458220 0.89 RAB9A (0.40) CACNA1GCACNA1HCACNA1IRAB9ASCN5A
SCHEMBL6455702 0.88 RAB9A (0.39) CACNA1GCACNA1HCACNA1IRAB9ASCN5A
SCHEMBL6455710 0.88 RAB9A (0.39) CACNA1GCACNA1HCACNA1IRAB9ASCN5A
SCHEMBL6458187 0.87 SCN9A (0.37) CACNA1GCACNA1HCACNA1IDRD2DRD3
SCHEMBL6458191 0.87 SCN9A (0.37) CACNA1GCACNA1HCACNA1IDRD2DRD3
SCHEMBL6458389 0.87 RAB9A (0.39) CACNA1GCACNA1HCACNA1IRAB9ADRD2

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