SCHEMBL6456765

SCHEMBL6456765

C=CCOc1c(F)cc(C2CC[C@@H]3C[C@H](C=CCC)CC[C@@H]3C2)cc1F

nearest known ligand 0.31

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.31
HTR2B P41595 3/20 0.31
ADRB2 P07550 2/20 0.31
HTR1A P08908 2/20 0.31
CHRM5 P08912 2/20 0.31
ADRA2A P08913 2/20 0.31
DRD2 P14416 2/20 0.31
ADRA2B P18089 2/20 0.31
ADRA2C P18825 2/20 0.31
DRD4 P21917 2/20 0.31
HRH2 P25021 2/20 0.31
HTR2A P28223 2/20 0.31
SLC6A4 P31645 2/20 0.31
HTR7 P34969 2/20 0.31
DRD3 P35462 2/20 0.31
HTR6 P50406 2/20 0.31
KCNH2 Q12809 2/20 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
SCHEMBL6456774 1.00 HTR2C (0.31) HTR2CHTR2BADRB2HTR1ACHRM5
SCHEMBL6456768 1.00 HTR2C (0.31) HTR2CHTR2BADRB2HTR1ACHRM5
SCHEMBL6456486 0.89
SCHEMBL6456484 0.89
SCHEMBL6458179 0.89 HTR2C (0.32) HTR2CHTR2BADRB2HTR1ACHRM5
SCHEMBL6458175 0.89 HTR2C (0.32) HTR2CHTR2BADRB2HTR1ACHRM5
SCHEMBL6458169 0.89 HTR2C (0.32) HTR2CHTR2BADRB2HTR1ACHRM5
SCHEMBL6460411 0.87 HTR2C (0.34) HTR2CHTR2BADRB2HTR1ACHRM5
SCHEMBL6460415 0.87 HTR2C (0.34) HTR2CHTR2BADRB2HTR1ACHRM5
SCHEMBL6456108 0.86 KDM1A (0.37) HTR2CHTR2BADRB2HTR1ACHRM5

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