SCHEMBL6457618

SCHEMBL6457618

CC[C@@H]1CC[C@@H]2CC(c3cc(F)c4cc(C(F)(F)F)ccc4c3)CCC2C1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.33
DRD2 P14416 1/20 0.33
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 2/20 0.32
SLC6A3 Q01959 2/20 0.32
CNR1 P21554 4/20 0.32
CNR2 P34972 1/20 0.32
DGAT1 O75907 1/20 0.32
SOAT1 P35610 1/20 0.32
S1PR1 P21453 1/20 0.31
TRPV3 Q8NET8 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
SCHEMBL6457624 1.00 IDO1 (0.33) IDO1DRD2SLC6A2SLC6A4SLC6A3
SCHEMBL6459949 0.91 OPRM1 (0.35) IDO1DRD2CNR1CNR2
SCHEMBL6459954 0.91 OPRM1 (0.35) IDO1DRD2CNR1CNR2
SCHEMBL6451465 0.89 DRD2 (0.33) IDO1DRD2
SCHEMBL6451469 0.89 DRD2 (0.33) IDO1DRD2
SCHEMBL6453031 0.89 DRD2 (0.32) IDO1DRD2CNR1CNR2
SCHEMBL6453036 0.89 DRD2 (0.32) IDO1DRD2CNR1CNR2
SCHEMBL6458923 0.88 GAA (0.33) IDO1DRD2CNR1CNR2
SCHEMBL6458915 0.88 GAA (0.33) IDO1DRD2CNR1CNR2
SCHEMBL6455896 0.88 GAA (0.33) IDO1DRD2CNR1CNR2

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