SCHEMBL6462637

SCHEMBL6462637

CCC1CCC2CC(c3ccc(C#Cc4ccc(OC)cc4)cc3)CCC2C1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
SLC6A3 Q01959 2/20 0.40
DRD2 P14416 1/20 0.40
APP P05067 2/20 0.39
KCNH2 Q12809 1/20 0.38
GRM3 Q14832 4/20 0.36
MCHR1 Q99705 1/20 0.36
ACACB O00763 1/20 0.36
RAB9A P51151 1/20 0.35

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
SCHEMBL6462632 1.00 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3DRD2APP
SCHEMBL6463486 0.92 DRD2 (0.46) SLC6A2SLC6A4SLC6A3DRD2RAB9A
SCHEMBL6463482 0.92 DRD2 (0.46) SLC6A2SLC6A4SLC6A3DRD2RAB9A
SCHEMBL6459752 0.90 DRD2 (0.41) SLC6A2SLC6A4SLC6A3DRD2APP
SCHEMBL6459755 0.90 DRD2 (0.41) SLC6A2SLC6A4SLC6A3DRD2APP
SCHEMBL6459069 0.88 DRD2 (0.43) SLC6A2SLC6A4SLC6A3DRD2RAB9A
SCHEMBL6459075 0.88 DRD2 (0.43) SLC6A2SLC6A4SLC6A3DRD2RAB9A
SCHEMBL6452339 0.88 RAB9A (0.40) SLC6A2SLC6A4SLC6A3DRD2APP
SCHEMBL6452336 0.88 RAB9A (0.40) SLC6A2SLC6A4SLC6A3DRD2APP
SCHEMBL6464016 0.87 RAB9A (0.39) SLC6A2SLC6A4SLC6A3DRD2APP

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