SCHEMBL6452218

SCHEMBL6452218

CC1CCC2CC(c3ccc4cc(C#N)c(F)cc4c3)CCC2C1

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 9/20 0.39
SLC6A2 P23975 8/20 0.34
SLC6A3 Q01959 8/20 0.34
KDM1A O60341 1/20 0.32

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
SCHEMBL6452212 1.00 SLC6A4 (0.39) SLC6A4SLC6A2SLC6A3KDM1A
SCHEMBL6452670 0.87 SLC6A4 (0.39) SLC6A4SLC6A2SLC6A3
SCHEMBL6452666 0.87 SLC6A4 (0.39) SLC6A4SLC6A2SLC6A3
SCHEMBL6451883 0.86 KDM1A (0.40) KDM1A
SCHEMBL6451880 0.86 KDM1A (0.40) KDM1A
SCHEMBL6453647 0.85 SLC6A4 (0.40) SLC6A4SLC6A2SLC6A3
SCHEMBL6453643 0.85 SLC6A4 (0.40) SLC6A4SLC6A2SLC6A3
SCHEMBL6464963 0.83 KDM1A (0.30) KDM1A
SCHEMBL6464965 0.83 KDM1A (0.30) KDM1A
SCHEMBL6450989 0.83 SLC6A4 (0.38) SLC6A4SLC6A2SLC6A3

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