SCHEMBL6459640

SCHEMBL6459640

CCCCCCC1CCC2CC(c3ccc4cc(OC(F)F)ccc4c3)CCC2C1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 5/20 0.34
SLC6A2 P23975 4/20 0.34
SLC6A3 Q01959 4/20 0.34
RAB9A P51151 1/20 0.34
IDO1 P14902 1/20 0.33
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
ABL1 P00519 1/20 0.32
S1PR1 P21453 6/20 0.31
S1PR4 O95977 1/20 0.31
S1PR5 Q9H228 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C8 P10632 1/20 0.31
S1PR3 Q99500 1/20 0.31
DRD2 P14416 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
SCHEMBL6459638 1.00 SLC6A4 (0.34) SLC6A4SLC6A2SLC6A3RAB9AIDO1
SCHEMBL6459531 1.00 SLC6A4 (0.34) SLC6A4SLC6A2SLC6A3RAB9AIDO1
SCHEMBL6459534 1.00 SLC6A4 (0.34) SLC6A4SLC6A2SLC6A3RAB9AIDO1
SCHEMBL6452437 0.99 SLC6A4 (0.35) SLC6A4SLC6A2SLC6A3RAB9AIDO1
SCHEMBL6452428 0.99 SLC6A4 (0.35) SLC6A4SLC6A2SLC6A3RAB9AIDO1
SCHEMBL6453652 0.96 SLC6A4 (0.35) SLC6A4SLC6A2SLC6A3RAB9AIDO1
SCHEMBL6453657 0.96 SLC6A4 (0.35) SLC6A4SLC6A2SLC6A3RAB9AIDO1
SCHEMBL6456364 0.91 SLC6A4 (0.37) SLC6A4SLC6A2SLC6A3RAB9AIDO1
SCHEMBL6456369 0.91 SLC6A4 (0.37) SLC6A4SLC6A2SLC6A3RAB9AIDO1
SCHEMBL14525788 0.89 RAB9A (0.38) RAB9AIDO1

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