SCHEMBL5023353

SCHEMBL5023353

C[C@H]1CC[C@H](NC(=O)O[C@@H]2C[C@@H]2CN2CCC(c3noc4ccc(C(F)(F)F)cc34)CC2)CC1

nearest known ligand 0.48

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 20/20 0.48
DRD3 P35462 20/20 0.48

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
SCHEMBL13868769 0.87 HTR2A (0.50) HTR2ADRD3
SCHEMBL2964646 0.87 HTR2A (0.50) HTR2ADRD3
SCHEMBL2964650 0.79 HTR2A (0.51) HTR2ADRD3
SCHEMBL5023889 0.79 HTR2A (0.40) HTR2ADRD3
SCHEMBL5025700 0.71 TLR7 (0.36) HTR2ADRD3
SCHEMBL3048511 0.70 KCNH2 (0.54) HTR2ADRD3
SCHEMBL5016897 0.70 SLC6A4 (0.47)
SCHEMBL2959207 0.69 HTR1F (0.48)
SCHEMBL16004607 0.67 HTR2A (0.80) HTR2ADRD3
SCHEMBL607475 0.67 HTR2A (0.80) HTR2ADRD3

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