SCHEMBL5023260

SCHEMBL5023260

C[C@H]1CC[C@H](NC(=O)O)CC1.c1cc2onc(C3CCN(CC4CC4)CC3)c2s1

nearest known ligand 0.46

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 15/20 0.46
DRD3 P35462 15/20 0.46

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
SCHEMBL5016902 0.86 DRD2 (0.41) HTR2ADRD3
SCHEMBL2958808 0.80 HTR2A (0.42) HTR2ADRD3
SCHEMBL13200909 0.80 HTR2A (0.42) HTR2ADRD3
SCHEMBL13888227 0.75 HTR2A (0.38) HTR2ADRD3
SCHEMBL13200902 0.74 HTR2C (0.40) HTR2A
SCHEMBL13888191 0.74 HTR2C (0.40) HTR2A
SCHEMBL2967230 0.74 HTR2C (0.40) HTR2A
SCHEMBL13201258 0.74 HTR2C (0.40) HTR2A
SCHEMBL2958872 0.73 HTR2C (0.40) HTR2ADRD3
SCHEMBL2958870 0.73 HTR2C (0.40) 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