SCHEMBL6453017

SCHEMBL6453017

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

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 17/20 0.46
SLC6A4 P31645 17/20 0.46
SLC6A3 Q01959 15/20 0.46
KCNH2 Q12809 3/20 0.35
HTR3A P46098 1/20 0.35
KDM2B Q8NHM5 1/20 0.35
HRH3 Q9Y5N1 1/20 0.34

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
SCHEMBL6453019 1.00 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3KCNH2HTR3A
SCHEMBL11144392 0.86 SLC6A4 (0.49) SLC6A2SLC6A4SLC6A3KCNH2HTR3A
SCHEMBL11144394 0.86 SLC6A4 (0.49) SLC6A2SLC6A4SLC6A3KCNH2HTR3A
SCHEMBL6458863 0.83 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3KCNH2HTR3A
SCHEMBL6458861 0.83 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3KCNH2HTR3A
SCHEMBL6457632 0.83 SLC6A4 (0.34) SLC6A2SLC6A4SLC6A3
SCHEMBL6457640 0.83 SLC6A4 (0.34) SLC6A2SLC6A4SLC6A3
SCHEMBL6452786 0.81 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3KCNH2HTR3A
SCHEMBL6452797 0.81 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3KCNH2HTR3A
SCHEMBL6452218 0.81 SLC6A4 (0.39) 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