SCHEMBL6455758

SCHEMBL6455758

CCCC1CCC2CC(c3ccc4c(F)c(C#N)ccc4c3)CCC2C1

nearest known ligand 0.31

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.31
CYP2C9 P11712 1/20 0.31
SLC6A2 P23975 2/20 0.31
SLC6A3 Q01959 2/20 0.31
KDM2B Q8NHM5 2/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
MEN1 O00255 1/20 0.30
MAPK1 P28482 1/20 0.30
KMT2A Q03164 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
SCHEMBL6455754 1.00 SLC6A4 (0.31) SLC6A4CYP2C9SLC6A2SLC6A3KDM2B
SCHEMBL6459104 0.94 SLC6A4 (0.30) SLC6A4
SCHEMBL6459100 0.94 SLC6A4 (0.30) SLC6A4
SCHEMBL6453094 0.93
SCHEMBL6453099 0.93
SCHEMBL6452845 0.92 GAA (0.31) MAPT
SCHEMBL6455430 0.92 GAA (0.31) MAPT
SCHEMBL6455432 0.92 GAA (0.31) MAPT
SCHEMBL6452851 0.92 GAA (0.31) MAPT
SCHEMBL6452194 0.92 SLC6A4 (0.34) SLC6A4SLC6A2SLC6A3KDM2B

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