SCHEMBL6454380

SCHEMBL6454380

CCCC1CCC2CC(c3ccc4cc(Cl)ccc4c3)CCC2C1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.36
SLC6A4 P31645 11/20 0.36
DRD2 P14416 2/20 0.36
SLC6A3 Q01959 11/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
MEN1 O00255 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
SLC6A2 P23975 10/20 0.34
IDO1 P14902 1/20 0.34

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
SCHEMBL6454378 1.00 CYP2C9 (0.36) CYP2C9SLC6A4DRD2SLC6A3ALDH1A1
SCHEMBL6454281 0.93 SLC6A4 (0.34) SLC6A4DRD2SLC6A3SLC6A2IDO1
SCHEMBL6454279 0.93 SLC6A4 (0.34) SLC6A4DRD2SLC6A3SLC6A2IDO1
SCHEMBL6452595 0.91 SLC6A4 (0.34) SLC6A4DRD2SLC6A3MAPTSLC6A2
SCHEMBL6452588 0.91 SLC6A4 (0.34) SLC6A4DRD2SLC6A3MAPTSLC6A2
SCHEMBL6455923 0.90 GAA (0.35) SLC6A4DRD2SLC6A3MAPTSLC6A2
SCHEMBL6455919 0.90 GAA (0.35) SLC6A4DRD2SLC6A3MAPTSLC6A2
SCHEMBL6459798 0.90 GAA (0.35) SLC6A4DRD2SLC6A3MAPTSLC6A2
SCHEMBL6459803 0.90 GAA (0.35) SLC6A4DRD2SLC6A3MAPTSLC6A2
SCHEMBL6454083 0.90 SLC6A4 (0.39) SLC6A4DRD2SLC6A3SLC6A2IDO1

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