SCHEMBL6452090

SCHEMBL6452090

CCCCCO[C@@H]1CC[C@@H]2CC(C3CCc4cc(OCCC)ccc4C3)CCC2C1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 2/20 0.40
HTR1B P28222 2/20 0.40
THRA P10827 2/20 0.40
THRB P10828 2/20 0.40
S1PR1 P21453 7/20 0.37
SGPL1 O95470 6/20 0.37
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36
NQO2 P16083 1/20 0.35
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35

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
SCHEMBL6452094 1.00 HTR1D (0.40) HTR1DHTR1BTHRATHRBS1PR1
SCHEMBL6454884 0.99 HTR1D (0.41) HTR1DHTR1BTHRATHRBS1PR1
SCHEMBL6454878 0.99 HTR1D (0.41) HTR1DHTR1BTHRATHRBS1PR1
SCHEMBL6453024 0.98 DRD2 (0.37) HTR1DHTR1BTHRATHRBS1PR1
SCHEMBL6452898 0.98 HTR1D (0.41) HTR1DHTR1BTHRATHRBS1PR1
SCHEMBL6453320 0.98 HTR1D (0.41) HTR1DHTR1BTHRATHRBS1PR1
SCHEMBL6453317 0.98 HTR1D (0.41) HTR1DHTR1BTHRATHRBS1PR1
SCHEMBL6452890 0.98 HTR1D (0.41) HTR1DHTR1BTHRATHRBS1PR1
SCHEMBL6453027 0.98 DRD2 (0.37) HTR1DHTR1BTHRATHRBS1PR1
SCHEMBL6453761 0.97 HTR1D (0.43) HTR1DHTR1BTHRATHRBS1PR1

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