SCHEMBL6453652

SCHEMBL6453652

CCCC[C@@H]1CC[C@@H]2CC(c3ccc4cc(OC(F)F)ccc4c3)CCC2C1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 10/20 0.35
SLC6A2 P23975 9/20 0.35
SLC6A3 Q01959 9/20 0.35
RAB9A P51151 1/20 0.35
IDO1 P14902 1/20 0.34
ABL1 P00519 1/20 0.33
DRD2 P14416 1/20 0.32
CYP2C9 P11712 1/20 0.30
MAPT P10636 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
SCHEMBL6453657 1.00 SLC6A4 (0.35) SLC6A4SLC6A2SLC6A3RAB9AIDO1
SCHEMBL6452428 0.97 SLC6A4 (0.35) SLC6A4SLC6A2SLC6A3RAB9AIDO1
SCHEMBL6452437 0.97 SLC6A4 (0.35) SLC6A4SLC6A2SLC6A3RAB9AIDO1
SCHEMBL6459531 0.96 SLC6A4 (0.34) SLC6A4SLC6A2SLC6A3RAB9AIDO1
SCHEMBL6459640 0.96 SLC6A4 (0.34) SLC6A4SLC6A2SLC6A3RAB9AIDO1
SCHEMBL6459638 0.96 SLC6A4 (0.34) SLC6A4SLC6A2SLC6A3RAB9AIDO1
SCHEMBL6459534 0.96 SLC6A4 (0.34) SLC6A4SLC6A2SLC6A3RAB9AIDO1
SCHEMBL6456364 0.93 SLC6A4 (0.37) SLC6A4SLC6A2SLC6A3RAB9AIDO1
SCHEMBL6456369 0.93 SLC6A4 (0.37) SLC6A4SLC6A2SLC6A3RAB9AIDO1
SCHEMBL6458055 0.89 SLC6A4 (0.40) SLC6A4SLC6A2SLC6A3RAB9AIDO1

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