SCHEMBL6457864

SCHEMBL6457864

C/C=C/CCC1CCC2CC(c3ccc(Cl)c(F)c3)CCC2C1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.31
SLC6A4 P31645 4/20 0.31
SLC6A3 Q01959 4/20 0.31
KCNH2 Q12809 1/20 0.31
PROKR1 Q8TCW9 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
SCHEMBL6457873 1.00 SLC6A2 (0.31) SLC6A2SLC6A4SLC6A3KCNH2PROKR1
SCHEMBL6457859 1.00 SLC6A2 (0.31) SLC6A2SLC6A4SLC6A3KCNH2PROKR1
SCHEMBL5684129 0.95
SCHEMBL5684124 0.95
SCHEMBL6453768 0.90 CCR2 (0.33)
SCHEMBL6453781 0.90 CCR2 (0.33)
SCHEMBL6453774 0.90 CCR2 (0.33)
SCHEMBL6452688 0.87
SCHEMBL6457129 0.87 PROKR1 (0.31) SLC6A2SLC6A4PROKR1
SCHEMBL6452692 0.87

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