SCHEMBL6464985

SCHEMBL6464985

CCCCCC1CCC2CC(c3ccc(Cl)cc3)CCC2C1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.38
SLC6A3 Q01959 1/20 0.37
SPHK1 Q9NYA1 3/20 0.37
CYP2C9 P11712 1/20 0.36
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
GRM2 Q14416 1/20 0.34
RAB9A P51151 1/20 0.34
CNR2 P34972 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
SCHEMBL6464984 1.00 DRD2 (0.42) DRD2L3MBTL1SLC6A3SPHK1CYP2C9
SCHEMBL6451702 0.99 DRD2 (0.41) DRD2L3MBTL1SLC6A3SPHK1MAPT
SCHEMBL6452297 0.99 DRD2 (0.41) DRD2L3MBTL1SLC6A3SPHK1MAPT
SCHEMBL6451697 0.99 DRD2 (0.41) DRD2L3MBTL1SLC6A3SPHK1MAPT
SCHEMBL6452294 0.99 DRD2 (0.41) DRD2L3MBTL1SLC6A3SPHK1MAPT
SCHEMBL6462605 0.96 DRD2 (0.40) DRD2L3MBTL1SLC6A3SPHK1CYP2C9
SCHEMBL6462602 0.96 DRD2 (0.40) DRD2L3MBTL1SLC6A3SPHK1CYP2C9
SCHEMBL6458311 0.96 DRD2 (0.43) DRD2L3MBTL1SLC6A3SPHK1CYP2C9
SCHEMBL6458306 0.96 DRD2 (0.43) DRD2L3MBTL1SLC6A3SPHK1CYP2C9
SCHEMBL6454410 0.95 DRD2 (0.39) DRD2L3MBTL1SLC6A3SPHK1MAPT

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