SCHEMBL6464095

SCHEMBL6464095

CCC1CCC2CC(c3cc(F)c(-c4ccc(OC)cc4)c(F)c3)CCC2C1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
SLC6A3 Q01959 2/20 0.35
GRIN1 Q05586 2/20 0.33
GRIN2B Q13224 2/20 0.33
DRD2 P14416 1/20 0.32
CRHR1 P34998 1/20 0.32
PAX8 Q06710 1/20 0.32
CCNB2 O95067 1/20 0.32
CDK1 P06493 1/20 0.32
CCNB1 P14635 1/20 0.32
GSK3A P49840 1/20 0.32
GSK3B P49841 1/20 0.32
CCNB3 Q8WWL7 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32
DGAT1 O75907 1/20 0.32
CHRM2 P08172 1/20 0.31

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
SCHEMBL6464093 1.00 SLC6A2 (0.35) SLC6A2SLC6A4SLC6A3GRIN1GRIN2B
SCHEMBL6464222 0.91 DRD2 (0.33) SLC6A2SLC6A4SLC6A3DRD2CRHR1
SCHEMBL6464218 0.91 DRD2 (0.33) SLC6A2SLC6A4SLC6A3DRD2CRHR1
SCHEMBL6460302 0.89 RAB9A (0.33) SLC6A2SLC6A4SLC6A3DRD2CRHR1
SCHEMBL6460297 0.89 RAB9A (0.33) SLC6A2SLC6A4SLC6A3DRD2CRHR1
SCHEMBL6452248 0.88 RAB9A (0.32) SLC6A2SLC6A4SLC6A3DRD2CRHR1
SCHEMBL6452246 0.88 RAB9A (0.32) SLC6A2SLC6A4SLC6A3DRD2CRHR1
SCHEMBL6458285 0.88 PTGS2 (0.35) SLC6A2SLC6A4SLC6A3
SCHEMBL6458284 0.88 PTGS2 (0.35) SLC6A2SLC6A4SLC6A3
SCHEMBL6460651 0.88 KDM1A (0.33) GRIN2B

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