SCHEMBL5023889

SCHEMBL5023889

COc1c(F)ccc2c(C3CCN(C[C@H]4C[C@H]4OC(=O)NC4CCC(C)CC4)CC3)noc12

nearest known ligand 0.40

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 19/20 0.40
DRD3 P35462 19/20 0.40

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
SCHEMBL13868788 0.88 HTR2A (0.41) HTR2ADRD3
SCHEMBL13201209 0.88 HTR2A (0.41) HTR2ADRD3
SCHEMBL5023353 0.79 HTR2A (0.48) HTR2ADRD3
SCHEMBL14048551 0.71 DRD2 (0.43) HTR2ADRD3
SCHEMBL5016897 0.70 SLC6A4 (0.47)
SCHEMBL2961708 0.68 GPR119 (0.49)
SCHEMBL5025700 0.67 TLR7 (0.36) HTR2ADRD3
SCHEMBL13201207 0.66 SLC6A4 (0.38)
Hydrochloric Acid SCHEMBL2955125 0.65 SLC6A4 (0.38)
SCHEMBL13868769 0.65 HTR2A (0.50) 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