SCHEMBL6452425

SCHEMBL6452425

CCCC[C@@H]1CC[C@@H]2CC(c3ccc4cc(C(F)(F)F)c(F)cc4c3)CCC2C1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.33
SLC6A2 P23975 2/20 0.33
SLC6A3 Q01959 2/20 0.33
KDM1A O60341 1/20 0.31
DRD2 P14416 1/20 0.31
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
CYP1A2 P05177 1/20 0.30
GAA P10253 1/20 0.30
CYP2D6 P10635 1/20 0.30
MAPT P10636 1/20 0.30
CYP2C9 P11712 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
CYP2C19 P33261 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL6452429 1.00 SLC6A4 (0.33) SLC6A4SLC6A2SLC6A3KDM1ADRD2
SCHEMBL6463305 0.97 SLC6A4 (0.32) SLC6A4SLC6A2SLC6A3KDM1ADRD2
SCHEMBL6463303 0.97 SLC6A4 (0.32) SLC6A4SLC6A2SLC6A3KDM1ADRD2
SCHEMBL6460019 0.96 GAA (0.33) SLC6A4SLC6A2SLC6A3KDM1AGAA
SCHEMBL7920015 0.96 GAA (0.33) SLC6A4SLC6A2SLC6A3KDM1AGAA
SCHEMBL6460013 0.96 GAA (0.33) SLC6A4SLC6A2SLC6A3KDM1AGAA
SCHEMBL7920014 0.96 GAA (0.33) SLC6A4SLC6A2SLC6A3KDM1AGAA
SCHEMBL7911060 0.94 CYP2C9 (0.34) SLC6A4SLC6A2SLC6A3KDM1ADRD2
SCHEMBL7911063 0.94 CYP2C9 (0.34) SLC6A4SLC6A2SLC6A3KDM1ADRD2
SCHEMBL6455135 0.90 SLC6A4 (0.37) SLC6A4SLC6A2SLC6A3DRD2MEN1

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