SCHEMBL6452797

SCHEMBL6452797

CCCC1CCC2CC(c3ccc4cc(C#N)ccc4c3)CCC2C1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 11/20 0.44
SLC6A4 P31645 11/20 0.44
SLC6A3 Q01959 9/20 0.44
HTR3A P46098 1/20 0.37
KCNH2 Q12809 1/20 0.37
DRD3 P35462 2/20 0.35
CYP2D6 P10635 1/20 0.35
TSHR P16473 1/20 0.35
NFKB1 P19838 1/20 0.35
CASP1 P29466 1/20 0.35
DRD2 P14416 1/20 0.35
CYP2C9 P11712 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
KDM2B Q8NHM5 3/20 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
SCHEMBL6452786 1.00 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3HTR3AKCNH2
SCHEMBL6462502 0.93 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3HTR3AKCNH2
SCHEMBL6462506 0.93 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3HTR3AKCNH2
SCHEMBL6459910 0.92 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3HTR3AKCNH2
SCHEMBL6459908 0.92 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3HTR3AKCNH2
SCHEMBL6459017 0.91 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3HTR3AKCNH2
SCHEMBL6460713 0.91 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3HTR3AKCNH2
SCHEMBL6460708 0.91 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3HTR3AKCNH2
SCHEMBL6459013 0.91 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3HTR3AKCNH2
SCHEMBL6458861 0.90 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3HTR3AKCNH2

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