SCHEMBL6460933

SCHEMBL6460933

CCCCC1CCC2CC(c3cc(F)c4cc(F)ccc4c3)CCC2C1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 4/20 0.37
SLC6A2 P23975 2/20 0.37
SLC6A3 Q01959 2/20 0.37
TP53 P04637 4/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
CHRM5 P08912 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
DRD2 P14416 1/20 0.32
BCHE P06276 1/20 0.31
NPY5R Q15761 1/20 0.31
OPRL1 P41146 2/20 0.30

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
SCHEMBL6460930 1.00 SLC6A4 (0.37) SLC6A4SLC6A2SLC6A3TP53POLB
SCHEMBL6460715 0.97 SLC6A4 (0.36) SLC6A4SLC6A2SLC6A3TP53POLB
SCHEMBL6460710 0.97 SLC6A4 (0.36) SLC6A4SLC6A2SLC6A3TP53POLB
SCHEMBL6458690 0.96 SLC6A4 (0.35) SLC6A4SLC6A2SLC6A3TP53POLB
SCHEMBL6458036 0.96 SLC6A4 (0.35) SLC6A4SLC6A2SLC6A3TP53POLB
SCHEMBL6458030 0.96 SLC6A4 (0.35) SLC6A4SLC6A2SLC6A3TP53POLB
SCHEMBL6458687 0.96 SLC6A4 (0.35) SLC6A4SLC6A2SLC6A3TP53POLB
SCHEMBL6456652 0.93 SLC6A4 (0.38) SLC6A4SLC6A2SLC6A3MAPTDRD2
SCHEMBL6456648 0.93 SLC6A4 (0.38) SLC6A4SLC6A2SLC6A3MAPTDRD2
SCHEMBL6458258 0.89 TP53 (0.34) TP53OPRL1

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