SCHEMBL6457318

SCHEMBL6457318

CCCCCCC1CCC2CC(c3ccc(C#Cc4ccc(OC)cc4)cc3)CCC2C1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.38
DRD2 P14416 1/20 0.38
GRM2 Q14416 1/20 0.35
APP P05067 2/20 0.34
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
SLC6A3 Q01959 2/20 0.34
SPHK1 Q9NYA1 1/20 0.33
KCNH2 Q12809 1/20 0.33
S1PR3 Q99500 1/20 0.33
GRM3 Q14832 2/20 0.33

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
SCHEMBL6460385 1.00 RAB9A (0.38) RAB9ADRD2GRM2APPSLC6A2
SCHEMBL6460380 1.00 RAB9A (0.38) RAB9ADRD2GRM2APPSLC6A2
SCHEMBL6457314 1.00 RAB9A (0.38) RAB9ADRD2GRM2APPSLC6A2
SCHEMBL6464013 0.99 RAB9A (0.39) RAB9ADRD2GRM2APPSLC6A2
SCHEMBL6464016 0.99 RAB9A (0.39) RAB9ADRD2GRM2APPSLC6A2
SCHEMBL6452339 0.95 RAB9A (0.40) RAB9ADRD2APPSLC6A2SLC6A4
SCHEMBL6452336 0.95 RAB9A (0.40) RAB9ADRD2APPSLC6A2SLC6A4
SCHEMBL6460913 0.93 DRD2 (0.43) RAB9ADRD2GRM2SLC6A2SLC6A4
SCHEMBL6452110 0.93 DRD2 (0.43) RAB9ADRD2GRM2SLC6A2SLC6A4
SCHEMBL6460916 0.93 DRD2 (0.43) RAB9ADRD2GRM2SLC6A2SLC6A4

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