SCHEMBL6459574

SCHEMBL6459574

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

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 11/20 0.46
SLC6A2 P23975 10/20 0.46
SLC6A3 Q01959 10/20 0.46
DRD2 P14416 1/20 0.34
MAPT P10636 2/20 0.33
GAA P10253 1/20 0.33
TP53 P04637 1/20 0.33
POLB P06746 1/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2C8 P10632 1/20 0.32
S1PR3 Q99500 1/20 0.32
RAB9A P51151 1/20 0.31
S1PR1 P21453 1/20 0.31
SGPL1 O95470 1/20 0.31

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
SCHEMBL6459581 1.00 SLC6A4 (0.46) SLC6A4SLC6A2SLC6A3DRD2MAPT
SCHEMBL6458885 0.99 SLC6A4 (0.46) SLC6A4SLC6A2SLC6A3DRD2MAPT
SCHEMBL6464078 0.99 SLC6A4 (0.46) SLC6A4SLC6A2SLC6A3DRD2MAPT
SCHEMBL6458889 0.99 SLC6A4 (0.46) SLC6A4SLC6A2SLC6A3DRD2MAPT
SCHEMBL6464075 0.99 SLC6A4 (0.46) SLC6A4SLC6A2SLC6A3DRD2MAPT
SCHEMBL6458158 0.96 SLC6A4 (0.47) SLC6A4SLC6A2SLC6A3DRD2MAPT
SCHEMBL6458154 0.96 SLC6A4 (0.47) SLC6A4SLC6A2SLC6A3DRD2MAPT
SCHEMBL6451703 0.91 SLC6A4 (0.49) SLC6A4SLC6A2SLC6A3DRD2MAPT
SCHEMBL6451708 0.91 SLC6A4 (0.49) SLC6A4SLC6A2SLC6A3DRD2MAPT
SCHEMBL6450891 0.91 SLC6A4 (0.36) SLC6A4SLC6A2SLC6A3DRD2MAPT

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