SCHEMBL9977544

SCHEMBL9977544

O=C(N[C@H]1CC[C@H](CCN2CCC(c3cccc4c3CCO4)CC2)CC1)c1ccc(I)cc1

nearest known ligand 0.85

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 20/20 0.85
DRD3 P35462 20/20 0.85
DRD2 P14416 18/20 0.85

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
SCHEMBL9933702 0.92 HTR2A (1.00) HTR2ADRD3DRD2
SCHEMBL9933700 0.92 HTR2A (1.00) HTR2ADRD3DRD2
SCHEMBL9933820 0.91 HTR2A (1.00) HTR2ADRD3DRD2
SCHEMBL9934122 0.91 HTR2A (1.00) HTR2ADRD3DRD2
SCHEMBL9933576 0.91 HTR2A (1.00) HTR2ADRD3DRD2
SCHEMBL9933575 0.91 HTR2A (1.00) HTR2ADRD3DRD2
SCHEMBL9933531 0.91 HTR2A (1.00) HTR2ADRD3DRD2
SCHEMBL9933417 0.91 HTR2A (1.00) HTR2ADRD3DRD2
SCHEMBL9933988 0.91 HTR2A (1.00) HTR2ADRD3DRD2
SCHEMBL9933529 0.91 HTR2A (1.00) HTR2ADRD3DRD2

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
WO-2012080149-A1 NOVEL BENZOFURANE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-06-21 WO disclosed