SCHEMBL6458306

SCHEMBL6458306

CCCCC1CC[C@@H]2C[C@H](c3ccc(Cl)cc3)CC[C@@H]2C1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.43
SLC6A3 Q01959 2/20 0.38
CYP2C9 P11712 1/20 0.37
L3MBTL1 Q9Y468 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
RAB9A P51151 1/20 0.35
SPHK1 Q9NYA1 1/20 0.35
HTR3A P46098 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
SCHEMBL6458311 1.00 DRD2 (0.43) DRD2SLC6A3CYP2C9L3MBTL1ALDH1A1
SCHEMBL6464633 0.96 DRD2 (0.40) DRD2SLC6A3CYP2C9L3MBTL1ALDH1A1
SCHEMBL6464629 0.96 DRD2 (0.40) DRD2SLC6A3CYP2C9L3MBTL1ALDH1A1
SCHEMBL6464984 0.96 DRD2 (0.42) DRD2SLC6A3CYP2C9L3MBTL1ALDH1A1
SCHEMBL6464985 0.96 DRD2 (0.42) DRD2SLC6A3CYP2C9L3MBTL1ALDH1A1
SCHEMBL6452294 0.94 DRD2 (0.41) DRD2SLC6A3L3MBTL1MAPTSPHK1
SCHEMBL6451702 0.94 DRD2 (0.41) DRD2SLC6A3L3MBTL1MAPTSPHK1
SCHEMBL6451697 0.94 DRD2 (0.41) DRD2SLC6A3L3MBTL1MAPTSPHK1
SCHEMBL6452297 0.94 DRD2 (0.41) DRD2SLC6A3L3MBTL1MAPTSPHK1
SCHEMBL6454211 0.92 DRD2 (0.38) DRD2SLC6A3CYP2C9L3MBTL1ALDH1A1

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