SCHEMBL5025700

SCHEMBL5025700

CC1CCC(NC(=O)O[C@@H]2C[C@@H]2CN2CCC(c3csc4c(C(F)(F)F)cccc34)CC2)CC1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 1/20 0.36
DRD2 P14416 10/20 0.34
HTR2A P28223 10/20 0.34
DRD3 P35462 10/20 0.34
UGT8 Q16880 1/20 0.34
SSTR4 P31391 1/20 0.33
RBP4 P02753 2/20 0.33
CCR5 P51681 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
TAS1R2 Q8TE23 1/20 0.33
CHRNA7 P36544 2/20 0.32
SIGMAR1 Q99720 1/20 0.32

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
SCHEMBL13201136 0.86 TLR7 (0.39) TLR7DRD2HTR2ADRD3RBP4
SCHEMBL13868776 0.86 TLR7 (0.39) TLR7DRD2HTR2ADRD3RBP4
SCHEMBL2960493 0.77 CCR5 (0.41) DRD2RBP4CCR5CHRNA7
SCHEMBL5016897 0.72 SLC6A4 (0.47) DRD2
SCHEMBL5023353 0.71 HTR2A (0.48) HTR2ADRD3
SCHEMBL2968839 0.70 SLC9A1 (0.49) HTR2ARBP4
SCHEMBL2960496 0.69 RBP4 (0.40) DRD2RBP4CCR5CHRNA7
SCHEMBL5023775 0.68 DRD2 (0.37) DRD2HTR2ADRD3
SCHEMBL5023889 0.67 HTR2A (0.40) HTR2ADRD3
SCHEMBL13523806 0.64 SLC9A1 (0.46) HTR2ARBP4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1632483-B1 HETEROCYCLIC SUBSTITUTED CARBONYL DERIVATIVES AND THEIR USE AS DOPAMINE D3 RECEPTOR LIGANDS AVENTIS PHARMA INC (US) 2008-10-29 EP claimed