SCHEMBL6456885

SCHEMBL6456885

CCC1CCC2CC(c3cc(F)c4cc(C#N)ccc4c3)CCC2C1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 14/20 0.34
SLC6A2 P23975 4/20 0.34
SLC6A3 Q01959 4/20 0.34
LRRK2 Q5S007 3/20 0.34
DPP4 P27487 2/20 0.32
HTR1A P08908 1/20 0.32
DRD1 P21728 1/20 0.32
HTR1B P28222 1/20 0.32
HTR2A P28223 1/20 0.32
HTR6 P50406 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
SCHEMBL6456881 1.00 SLC6A4 (0.34) SLC6A4SLC6A2SLC6A3LRRK2DPP4
SCHEMBL6457373 0.92 SLC6A4 (0.34) SLC6A4SLC6A2SLC6A3LRRK2DPP4
SCHEMBL6457377 0.92 SLC6A4 (0.34) SLC6A4SLC6A2SLC6A3LRRK2DPP4
SCHEMBL6455945 0.90 SLC6A4 (0.33) SLC6A4SLC6A2SLC6A3LRRK2
SCHEMBL6455943 0.90 SLC6A4 (0.33) SLC6A4SLC6A2SLC6A3LRRK2
SCHEMBL6452378 0.89 SLC6A4 (0.33) SLC6A4SLC6A2SLC6A3LRRK2
SCHEMBL6452371 0.89 SLC6A4 (0.33) SLC6A4SLC6A2SLC6A3LRRK2
SCHEMBL6451705 0.88 GRM2 (0.33) SLC6A4SLC6A2SLC6A3LRRK2
SCHEMBL6460925 0.88 GRM2 (0.33) SLC6A4SLC6A2SLC6A3LRRK2
SCHEMBL6460921 0.88 GRM2 (0.33) SLC6A4SLC6A2SLC6A3LRRK2

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