SCHEMBL6464218

SCHEMBL6464218

CCCC1CC[C@@H]2C[C@H](c3cc(F)c(-c4ccc(OC)cc4)c(F)c3)CC[C@@H]2C1

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.33
CRHR1 P34998 1/20 0.33
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 2/20 0.32
SLC6A3 Q01959 2/20 0.32
CCR2 P41597 3/20 0.32
PAX8 Q06710 1/20 0.31
CCNB2 O95067 1/20 0.31
CDK1 P06493 1/20 0.31
CCNB1 P14635 1/20 0.31
GSK3A P49840 1/20 0.31
GSK3B P49841 1/20 0.31
CCNB3 Q8WWL7 1/20 0.31
DGAT1 O75907 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CYP2C9 P11712 1/20 0.30

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
SCHEMBL6464222 1.00 DRD2 (0.33) DRD2CRHR1SLC6A2SLC6A4SLC6A3
SCHEMBL6460302 0.94 RAB9A (0.33) DRD2CRHR1SLC6A2SLC6A4SLC6A3
SCHEMBL6460297 0.94 RAB9A (0.33) DRD2CRHR1SLC6A2SLC6A4SLC6A3
SCHEMBL6452248 0.93 RAB9A (0.32) DRD2CRHR1SLC6A2SLC6A4SLC6A3
SCHEMBL6452246 0.93 RAB9A (0.32) DRD2CRHR1SLC6A2SLC6A4SLC6A3
SCHEMBL6461170 0.92 GRM2 (0.33) DRD2CRHR1CCR2CCNB2CDK1
SCHEMBL6451910 0.92 GRM2 (0.33) DRD2CRHR1CCR2CCNB2CDK1
SCHEMBL6451906 0.92 GRM2 (0.33) DRD2CRHR1CCR2CCNB2CDK1
SCHEMBL6461165 0.92 GRM2 (0.33) DRD2CRHR1CCR2CCNB2CDK1
SCHEMBL6464093 0.91 SLC6A2 (0.35) DRD2CRHR1SLC6A2SLC6A4SLC6A3

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