SCHEMBL6464075

SCHEMBL6464075

CCCCCC[C@@H]1CC[C@@H]2CC(c3ccc4cc(F)ccc4c3)CCC2C1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 9/20 0.46
SLC6A2 P23975 8/20 0.46
SLC6A3 Q01959 8/20 0.46
MAPT P10636 2/20 0.35
GAA P10253 1/20 0.35
DRD2 P14416 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C8 P10632 1/20 0.33
S1PR3 Q99500 1/20 0.33
TP53 P04637 1/20 0.32
POLB P06746 1/20 0.32
SPHK1 Q9NYA1 2/20 0.32
S1PR1 P21453 4/20 0.32
S1PR4 O95977 1/20 0.32
S1PR5 Q9H228 1/20 0.32

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
SCHEMBL6458889 1.00 SLC6A4 (0.46) SLC6A4SLC6A2SLC6A3MAPTGAA
SCHEMBL6464078 1.00 SLC6A4 (0.46) SLC6A4SLC6A2SLC6A3MAPTGAA
SCHEMBL6458885 1.00 SLC6A4 (0.46) SLC6A4SLC6A2SLC6A3MAPTGAA
SCHEMBL6459574 0.99 SLC6A4 (0.46) SLC6A4SLC6A2SLC6A3MAPTGAA
SCHEMBL6459581 0.99 SLC6A4 (0.46) SLC6A4SLC6A2SLC6A3MAPTGAA
SCHEMBL6458158 0.95 SLC6A4 (0.47) SLC6A4SLC6A2SLC6A3MAPTDRD2
SCHEMBL6458154 0.95 SLC6A4 (0.47) SLC6A4SLC6A2SLC6A3MAPTDRD2
SCHEMBL6454479 0.91 SLC6A4 (0.36) SLC6A4SLC6A2SLC6A3MAPTGAA
SCHEMBL6453169 0.91 SLC6A4 (0.36) SLC6A4SLC6A2SLC6A3MAPTGAA
SCHEMBL6453164 0.91 SLC6A4 (0.36) SLC6A4SLC6A2SLC6A3MAPTGAA

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