SCHEMBL6454083

SCHEMBL6454083

CC[C@@H]1CC[C@@H]2CC(c3ccc4cc(Cl)ccc4c3)CCC2C1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 13/20 0.39
SLC6A2 P23975 12/20 0.39
SLC6A3 Q01959 12/20 0.39
IDO1 P14902 2/20 0.35
DRD2 P14416 2/20 0.35
DGAT1 O75907 1/20 0.33
SOAT1 P35610 1/20 0.33

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
SCHEMBL6454087 1.00 SLC6A4 (0.39) SLC6A4SLC6A2SLC6A3IDO1DRD2
SCHEMBL6454378 0.90 CYP2C9 (0.36) SLC6A4SLC6A2SLC6A3IDO1DRD2
SCHEMBL6454380 0.90 CYP2C9 (0.36) SLC6A4SLC6A2SLC6A3IDO1DRD2
SCHEMBL6454279 0.87 SLC6A4 (0.34) SLC6A4SLC6A2SLC6A3IDO1DRD2
SCHEMBL6454281 0.87 SLC6A4 (0.34) SLC6A4SLC6A2SLC6A3IDO1DRD2
SCHEMBL6452588 0.86 SLC6A4 (0.34) SLC6A4SLC6A2SLC6A3IDO1DRD2
SCHEMBL6452595 0.86 SLC6A4 (0.34) SLC6A4SLC6A2SLC6A3IDO1DRD2
SCHEMBL6453238 0.86 DRD2 (0.44) SLC6A3IDO1DRD2
SCHEMBL6453234 0.86 DRD2 (0.44) SLC6A3IDO1DRD2
SCHEMBL6455919 0.85 GAA (0.35) SLC6A4SLC6A2SLC6A3IDO1DRD2

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