SCHEMBL6460547

SCHEMBL6460547

C=CCOc1ccc(C2CCC3CC(C=CC)CCC3C2)cc1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 14/20 0.38
HTR2B P41595 7/20 0.38
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
KDM1A O60341 4/20 0.36
HTR2A P28223 9/20 0.35
ADRB2 P07550 2/20 0.34
HTR1A P08908 2/20 0.34
CHRM5 P08912 2/20 0.34
ADRA2A P08913 2/20 0.34
DRD2 P14416 2/20 0.34
ADRA2B P18089 2/20 0.34
ADRA2C P18825 2/20 0.34
DRD4 P21917 2/20 0.34
HRH2 P25021 2/20 0.34
SLC6A4 P31645 2/20 0.34
HTR7 P34969 2/20 0.34
DRD3 P35462 2/20 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
SCHEMBL6460540 1.00 HTR2C (0.38) HTR2CHTR2BPDE4APDE4BPDE4C
SCHEMBL6460542 1.00 HTR2C (0.38) HTR2CHTR2BPDE4APDE4BPDE4C
SCHEMBL6456919 0.90 KDM1A (0.37) KDM1A
SCHEMBL6456914 0.90 KDM1A (0.37) KDM1A
SCHEMBL6456804 0.90 HTR2C (0.39) HTR2CHTR2BPDE4APDE4BPDE4C
SCHEMBL6456801 0.90 HTR2C (0.39) HTR2CHTR2BPDE4APDE4BPDE4C
SCHEMBL6456108 0.90 KDM1A (0.37) HTR2CHTR2BPDE4APDE4BPDE4C
SCHEMBL6456104 0.90 KDM1A (0.37) HTR2CHTR2BPDE4APDE4BPDE4C
SCHEMBL6456100 0.90 KDM1A (0.37) HTR2CHTR2BPDE4APDE4BPDE4C
SCHEMBL6462531 0.87 KDM1A (0.36) HTR2CHTR2BPDE4APDE4BPDE4C

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