SCHEMBL6450993

SCHEMBL6450993

CCCC1CCC2CC(c3ccc4cc(C#N)c(F)cc4c3)CCC2C1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 9/20 0.38
SLC6A2 P23975 7/20 0.33
SLC6A3 Q01959 7/20 0.33
CYP2C9 P11712 1/20 0.32
DRD2 P14416 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
MEN1 O00255 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 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
SCHEMBL6450989 1.00 SLC6A4 (0.38) SLC6A4SLC6A2SLC6A3CYP2C9DRD2
SCHEMBL6458397 0.94 SLC6A4 (0.37) SLC6A4SLC6A2SLC6A3DRD2
SCHEMBL6458401 0.94 SLC6A4 (0.37) SLC6A4SLC6A2SLC6A3DRD2
SCHEMBL6460738 0.93 SLC6A4 (0.36) SLC6A4SLC6A2SLC6A3
SCHEMBL6460736 0.93 SLC6A4 (0.36) SLC6A4SLC6A2SLC6A3
SCHEMBL6451329 0.92 SLC6A4 (0.36) SLC6A4SLC6A2SLC6A3MAPT
SCHEMBL6452839 0.92 SLC6A4 (0.36) SLC6A4SLC6A2SLC6A3MAPT
SCHEMBL6452835 0.92 SLC6A4 (0.36) SLC6A4SLC6A2SLC6A3MAPT
SCHEMBL6451332 0.92 SLC6A4 (0.36) SLC6A4SLC6A2SLC6A3MAPT
SCHEMBL6453643 0.91 SLC6A4 (0.40) SLC6A4SLC6A2SLC6A3DRD2

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