SCHEMBL6458783

SCHEMBL6458783

CCCCCC1(c2ccc(-c3ccc(CC)cc3)cc2)CCCCC1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.51
CNR1 P21554 3/20 0.51
SLC6A4 P31645 12/20 0.47
SLC6A3 Q01959 11/20 0.47
SLC6A2 P23975 7/20 0.47
HRH3 Q9Y5N1 2/20 0.39
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
HRH4 Q9H3N8 1/20 0.36

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
SCHEMBL4653174 0.89 CNR2 (0.54) CNR2CNR1SLC6A4SLC6A3SLC6A2
SCHEMBL9158638 0.89 SLC6A3 (0.46) CNR2CNR1SLC6A4SLC6A3SLC6A2
SCHEMBL9563926 0.88 CNR2 (0.49) CNR2CNR1SLC6A4SLC6A3SLC6A2
SCHEMBL9564074 0.88 CNR2 (0.49) CNR2CNR1SLC6A4SLC6A3SLC6A2
SCHEMBL9564023 0.88 CNR2 (0.49) CNR2CNR1SLC6A4SLC6A3SLC6A2
SCHEMBL9399121 0.87 CNR2 (0.57) CNR2CNR1SLC6A4SLC6A3SLC6A2
SCHEMBL11524018 0.86 SLC6A4 (0.63) CNR2CNR1SLC6A4SLC6A3SLC6A2
SCHEMBL224910 0.85 CNR2 (0.57) CNR2CNR1SLC6A4SLC6A3SLC6A2
SCHEMBL9863889 0.85 CNR1 (0.51) CNR2CNR1SLC6A4SLC6A3SLC6A2
SCHEMBL9160951 0.84 SLC6A3 (0.41) CNR2CNR1SLC6A4SLC6A3SLC6A2

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 6 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
EP-0445248-B1 PYRIDINE DERIVATIVES MERCK PATENT GMBH (DE) 1995-03-08 EP disclosed
US-5205962-A Stable liquid crystals MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1993-04-27 US disclosed
US-5030383-A With low temperature dependence of threshold voltage MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1991-07-09 US disclosed
WO-1991004248-A1 PYRIDINE DERIVATIVES MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1991-04-04 WO disclosed