SCHEMBL6458154

SCHEMBL6458154

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

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 11/20 0.47
SLC6A2 P23975 10/20 0.47
SLC6A3 Q01959 10/20 0.47
TP53 P04637 4/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
DRD2 P14416 1/20 0.34
CHRM5 P08912 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
RAB9A P51151 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
SCHEMBL6458158 1.00 SLC6A4 (0.47) SLC6A4SLC6A2SLC6A3TP53POLB
SCHEMBL6459574 0.96 SLC6A4 (0.46) SLC6A4SLC6A2SLC6A3TP53POLB
SCHEMBL6459581 0.96 SLC6A4 (0.46) SLC6A4SLC6A2SLC6A3TP53POLB
SCHEMBL6464078 0.95 SLC6A4 (0.46) SLC6A4SLC6A2SLC6A3TP53POLB
SCHEMBL6458889 0.95 SLC6A4 (0.46) SLC6A4SLC6A2SLC6A3TP53POLB
SCHEMBL6458885 0.95 SLC6A4 (0.46) SLC6A4SLC6A2SLC6A3TP53POLB
SCHEMBL6464075 0.95 SLC6A4 (0.46) SLC6A4SLC6A2SLC6A3TP53POLB
SCHEMBL6451703 0.93 SLC6A4 (0.49) SLC6A4SLC6A2SLC6A3MAPTDRD2
SCHEMBL6451708 0.93 SLC6A4 (0.49) SLC6A4SLC6A2SLC6A3MAPTDRD2
SCHEMBL6455135 0.90 SLC6A4 (0.37) SLC6A4SLC6A2SLC6A3MAPTDRD2

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