SCHEMBL6455702

SCHEMBL6455702

CCCCCC1CC[C@@H]2C[C@H](c3ccc(-c4ccc(OCC(F)(F)F)cc4)cc3)CC[C@@H]2C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.39
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 2/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
S1PR3 Q99500 1/20 0.32
CYP2C9 P11712 2/20 0.32
SCN5A Q14524 1/20 0.32
HRH3 Q9Y5N1 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC10 Q969S8 1/20 0.31
HDAC11 Q96DB2 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
SCHEMBL6455710 1.00 RAB9A (0.39) RAB9ACACNA1GCACNA1HCACNA1IDRD2
SCHEMBL6458412 0.99 RAB9A (0.39) RAB9ACACNA1GCACNA1HCACNA1IDRD2
SCHEMBL6458389 0.99 RAB9A (0.39) RAB9ACACNA1GCACNA1HCACNA1IDRD2
SCHEMBL6458408 0.99 RAB9A (0.39) RAB9ACACNA1GCACNA1HCACNA1IDRD2
SCHEMBL6458396 0.99 RAB9A (0.39) RAB9ACACNA1GCACNA1HCACNA1IDRD2
SCHEMBL6458220 0.97 RAB9A (0.40) RAB9ACACNA1GCACNA1HCACNA1IDRD2
SCHEMBL6458218 0.97 RAB9A (0.40) RAB9ACACNA1GCACNA1HCACNA1IDRD2
SCHEMBL6452439 0.92 CACNA1G (0.38) RAB9ACACNA1GCACNA1HCACNA1IDRD2
SCHEMBL6452432 0.92 CACNA1G (0.38) RAB9ACACNA1GCACNA1HCACNA1IDRD2
SCHEMBL6455067 0.89 FASN (0.34) RAB9ADRD2DRD3S1PR3

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