SCHEMBL6458220

SCHEMBL6458220

CCCCC1CCC2CC(c3ccc(-c4ccc(OCC(F)(F)F)cc4)cc3)CCC2C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.40
CACNA1G O43497 1/20 0.35
CACNA1H O95180 1/20 0.35
CACNA1I Q9P0X4 1/20 0.35
DRD2 P14416 1/20 0.34
DRD3 P35462 1/20 0.34
LIPE Q05469 3/20 0.33
DGAT1 O75907 1/20 0.33
SCN5A Q14524 1/20 0.32
CYP2C9 P11712 3/20 0.32
HRH3 Q9Y5N1 1/20 0.32
CYP2D6 P10635 2/20 0.32
CYP3A4 P08684 1/20 0.32
MAPT P10636 2/20 0.31
MEN1 O00255 2/20 0.31
MAPK1 P28482 2/20 0.31
KMT2A Q03164 2/20 0.31
ALDH1A1 P00352 2/20 0.31
LMNA P02545 1/20 0.31
NPC1 O15118 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
SCHEMBL6458218 1.00 RAB9A (0.40) RAB9ACACNA1GCACNA1HCACNA1IDRD2
SCHEMBL6455710 0.97 RAB9A (0.39) RAB9ACACNA1GCACNA1HCACNA1IDRD2
SCHEMBL6455702 0.97 RAB9A (0.39) RAB9ACACNA1GCACNA1HCACNA1IDRD2
SCHEMBL6458396 0.96 RAB9A (0.39) RAB9ACACNA1GCACNA1HCACNA1IDRD2
SCHEMBL6458412 0.96 RAB9A (0.39) RAB9ACACNA1GCACNA1HCACNA1IDRD2
SCHEMBL6458408 0.96 RAB9A (0.39) RAB9ACACNA1GCACNA1HCACNA1IDRD2
SCHEMBL6458389 0.96 RAB9A (0.39) RAB9ACACNA1GCACNA1HCACNA1IDRD2
SCHEMBL6452432 0.93 CACNA1G (0.38) RAB9ACACNA1GCACNA1HCACNA1IDRD2
SCHEMBL6452439 0.93 CACNA1G (0.38) RAB9ACACNA1GCACNA1HCACNA1IDRD2
SCHEMBL6453653 0.89 CACNA1G (0.37) RAB9ACACNA1GCACNA1HCACNA1IDRD2

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