SCHEMBL6455034

SCHEMBL6455034

CCC1CCC2CC(c3ccc4cc(F)c(F)cc4c3)CCC2C1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 12/20 0.42
SLC6A2 P23975 10/20 0.42
SLC6A3 Q01959 10/20 0.42
TRPV3 Q8NET8 1/20 0.37
DRD2 P14416 1/20 0.35
ALOX5 P09917 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
SCHEMBL6455032 1.00 SLC6A4 (0.42) SLC6A4SLC6A2SLC6A3TRPV3DRD2
SCHEMBL6450918 0.91 SLC6A4 (0.39) SLC6A4SLC6A2SLC6A3TRPV3DRD2
SCHEMBL6450916 0.91 SLC6A4 (0.39) SLC6A4SLC6A2SLC6A3TRPV3DRD2
SCHEMBL6452506 0.90 SLC6A4 (0.38) SLC6A4SLC6A2SLC6A3TRPV3DRD2
SCHEMBL6452499 0.90 SLC6A4 (0.38) SLC6A4SLC6A2SLC6A3TRPV3DRD2
SCHEMBL6454180 0.89 SLC6A2 (0.39) SLC6A4SLC6A2SLC6A3TRPV3
SCHEMBL6454175 0.89 SLC6A2 (0.39) SLC6A4SLC6A2SLC6A3TRPV3
SCHEMBL6452462 0.89 SLC6A4 (0.37) SLC6A4SLC6A2SLC6A3TRPV3DRD2
SCHEMBL6452456 0.89 SLC6A4 (0.37) SLC6A4SLC6A2SLC6A3TRPV3DRD2
SCHEMBL6459583 0.89 SLC6A4 (0.54) SLC6A4SLC6A2SLC6A3TRPV3DRD2

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