SCHEMBL6462579

SCHEMBL6462579

CC=CCCC1CCC2CC(c3ccc(C#Cc4ccc(F)cc4)cc3)CCC2C1

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.31
SLC6A4 P31645 2/20 0.31
SLC6A3 Q01959 2/20 0.31
PAX8 Q06710 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
SCHEMBL6462576 1.00 SLC6A2 (0.31) SLC6A2SLC6A4SLC6A3PAX8
SCHEMBL6462572 1.00 SLC6A2 (0.31) SLC6A2SLC6A4SLC6A3PAX8
SCHEMBL6464394 0.93 SLC6A2 (0.32) SLC6A2SLC6A4SLC6A3
SCHEMBL6464387 0.93 SLC6A2 (0.32) SLC6A2SLC6A4SLC6A3
SCHEMBL7923289 0.93 SLC6A2 (0.32) SLC6A2SLC6A4SLC6A3
SCHEMBL6464392 0.93 SLC6A2 (0.32) SLC6A2SLC6A4SLC6A3
SCHEMBL6452188 0.90 PTGS2 (0.34) SLC6A2SLC6A4SLC6A3
SCHEMBL6452174 0.90 PTGS2 (0.34) SLC6A2SLC6A4SLC6A3
SCHEMBL6452182 0.90 PTGS2 (0.34) SLC6A2SLC6A4SLC6A3
SCHEMBL5686729 0.87 SLC6A2 (0.32) SLC6A2SLC6A4SLC6A3

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