SCHEMBL20078469

SCHEMBL20078469

CN1CCc2ccc(OCCCCO)nc2NC1=O

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 20/20 0.48
HTR1A P08908 16/20 0.48
HTR2A P28223 16/20 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
SCHEMBL251847 0.81 DRD2 (0.56) DRD2HTR1AHTR2A
SCHEMBL5221533 0.79 DRD2 (0.53) DRD2HTR1AHTR2A
SCHEMBL5249304 0.78 DRD2 (0.41) DRD2HTR1AHTR2A
SCHEMBL5369042 0.76 DRD2 (0.39) DRD2HTR1AHTR2A
SCHEMBL5374824 0.75 DRD2 (0.40) DRD2HTR1AHTR2A
SCHEMBL14984327 0.71 DRD2 (0.58) DRD2HTR1AHTR2A
SCHEMBL5374311 0.71 DRD2 (0.39) DRD2HTR1AHTR2A
SCHEMBL6102729 0.71 DRD2 (0.39) DRD2HTR1AHTR2A
SCHEMBL16559722 0.71 DRD2 (0.70) DRD2HTR1AHTR2A
SCHEMBL16559741 0.70 DRD2 (0.67) DRD2HTR1AHTR2A

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
US-9951088-B2 D2 receptor modulators and methods of use thereof in the treatment of diseases and disorders SUNOVION PHARMACEUTICALS INC. (US) 2018-04-24 US disclosed