SCHEMBL6456652

SCHEMBL6456652

CCCC1CCC2CC(c3cc(F)c4cc(F)ccc4c3)CCC2C1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 6/20 0.38
SLC6A2 P23975 2/20 0.38
SLC6A3 Q01959 2/20 0.38
DRD2 P14416 2/20 0.33
CYP2C9 P11712 1/20 0.32
NPY5R Q15761 2/20 0.31
OPRL1 P41146 4/20 0.31
HTR2A P28223 1/20 0.31
DRD3 P35462 1/20 0.31
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
MEN1 O00255 1/20 0.30
MAPK1 P28482 1/20 0.30
KMT2A Q03164 1/20 0.30
LRRK2 Q5S007 1/20 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
SCHEMBL6456648 1.00 SLC6A4 (0.38) SLC6A4SLC6A2SLC6A3DRD2CYP2C9
SCHEMBL6460930 0.93 SLC6A4 (0.37) SLC6A4SLC6A2SLC6A3DRD2NPY5R
SCHEMBL6460933 0.93 SLC6A4 (0.37) SLC6A4SLC6A2SLC6A3DRD2NPY5R
SCHEMBL6460715 0.92 SLC6A4 (0.36) SLC6A4SLC6A2SLC6A3DRD2NPY5R
SCHEMBL6460710 0.92 SLC6A4 (0.36) SLC6A4SLC6A2SLC6A3DRD2NPY5R
SCHEMBL6458030 0.91 SLC6A4 (0.35) SLC6A4SLC6A2SLC6A3DRD2MAPT
SCHEMBL6458036 0.91 SLC6A4 (0.35) SLC6A4SLC6A2SLC6A3DRD2MAPT
SCHEMBL6458690 0.91 SLC6A4 (0.35) SLC6A4SLC6A2SLC6A3DRD2MAPT
SCHEMBL6458687 0.91 SLC6A4 (0.35) SLC6A4SLC6A2SLC6A3DRD2MAPT
SCHEMBL6460684 0.91 SLC6A4 (0.42) SLC6A4SLC6A2SLC6A3DRD2OPRL1

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