SCHEMBL6453972

SCHEMBL6453972

CCCC=C[C@@H]1CC[C@@H]2CC(c3ccc(F)cc3)CC[C@@H]2C1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 2/20 0.32
SLC6A3 Q01959 2/20 0.32
MAP1LC3B Q9GZQ8 1/20 0.30
POLB P06746 1/20 0.30
GAA P10253 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
SCHEMBL6453979 1.00 SLC6A2 (0.32) SLC6A2SLC6A4SLC6A3MAP1LC3BPOLB
SCHEMBL6453983 1.00 SLC6A2 (0.32) SLC6A2SLC6A4SLC6A3MAP1LC3BPOLB
SCHEMBL5884753 0.94 SLC6A2 (0.32) SLC6A2SLC6A4SLC6A3
SCHEMBL5884746 0.94 SLC6A2 (0.32) SLC6A2SLC6A4SLC6A3
SCHEMBL14526183 0.89 SLC6A3 (0.33) SLC6A2SLC6A4SLC6A3MAP1LC3B
SCHEMBL6455085 0.87 NPY5R (0.31)
SCHEMBL6455084 0.87 NPY5R (0.31)
SCHEMBL6455088 0.87 NPY5R (0.31)
SCHEMBL6460336 0.87 DRD2 (0.40) SLC6A3MAP1LC3B
SCHEMBL6460342 0.87 DRD2 (0.40) SLC6A3MAP1LC3B

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