SCHEMBL6455586

SCHEMBL6455586

CCCCC1CCC2CC(c3ccc(OC)cc3)CCC2C1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.45
RAB9A P51151 1/20 0.41
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
SLC6A3 Q01959 2/20 0.36
KDM1A O60341 2/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
HTR2C P28335 1/20 0.35
CYP2C9 P11712 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 1/20 0.35
GRIN2B Q13224 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
SCHEMBL6455583 1.00 DRD2 (0.45) DRD2RAB9ASLC6A2SLC6A4SLC6A3
SCHEMBL6462871 0.96 DRD2 (0.42) DRD2RAB9ASLC6A2SLC6A4SLC6A3
SCHEMBL6462873 0.96 DRD2 (0.42) DRD2RAB9ASLC6A2SLC6A4SLC6A3
SCHEMBL6464450 0.96 DRD2 (0.44) DRD2RAB9ASLC6A2SLC6A4SLC6A3
SCHEMBL6464445 0.96 DRD2 (0.44) DRD2RAB9ASLC6A2SLC6A4SLC6A3
SCHEMBL6452106 0.95 DRD2 (0.43) DRD2RAB9ASLC6A2SLC6A4SLC6A3
SCHEMBL6460913 0.95 DRD2 (0.43) DRD2RAB9ASLC6A2SLC6A4SLC6A3
SCHEMBL6452110 0.95 DRD2 (0.43) DRD2RAB9ASLC6A2SLC6A4SLC6A3
SCHEMBL6460916 0.95 DRD2 (0.43) DRD2RAB9ASLC6A2SLC6A4SLC6A3
SCHEMBL6452336 0.93 RAB9A (0.40) DRD2RAB9ASLC6A2SLC6A4SLC6A3

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