SCHEMBL6460679

SCHEMBL6460679

CC[C@@H]1CC[C@@H]2CC(c3cc(F)c4cc(F)ccc4c3)CCC2C1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 9/20 0.42
SLC6A2 P23975 6/20 0.42
SLC6A3 Q01959 6/20 0.42
TRPV3 Q8NET8 1/20 0.32
DRD2 P14416 1/20 0.32
LRRK2 Q5S007 1/20 0.31
PTGDR2 Q9Y5Y4 2/20 0.31
PER2 O15055 1/20 0.30
OPRL1 P41146 2/20 0.30
DPP4 P27487 1/20 0.30
DPP8 Q6V1X1 1/20 0.30
DPP9 Q86TI2 1/20 0.30
DPP7 Q9UHL4 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
SCHEMBL6460684 1.00 SLC6A4 (0.42) SLC6A4SLC6A2SLC6A3TRPV3DRD2
SCHEMBL6456652 0.91 SLC6A4 (0.38) SLC6A4SLC6A2SLC6A3DRD2LRRK2
SCHEMBL6456648 0.91 SLC6A4 (0.38) SLC6A4SLC6A2SLC6A3DRD2LRRK2
SCHEMBL6460933 0.89 SLC6A4 (0.37) SLC6A4SLC6A2SLC6A3DRD2OPRL1
SCHEMBL6460930 0.89 SLC6A4 (0.37) SLC6A4SLC6A2SLC6A3DRD2OPRL1
SCHEMBL6454369 0.88 OPRL1 (0.34) SLC6A4SLC6A2SLC6A3TRPV3OPRL1
SCHEMBL6454374 0.88 OPRL1 (0.34) SLC6A4SLC6A2SLC6A3TRPV3OPRL1
SCHEMBL6460710 0.88 SLC6A4 (0.36) SLC6A4SLC6A2SLC6A3DRD2
SCHEMBL6460715 0.88 SLC6A4 (0.36) SLC6A4SLC6A2SLC6A3DRD2
SCHEMBL6458687 0.87 SLC6A4 (0.35) SLC6A4SLC6A2SLC6A3DRD2

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