SCHEMBL11039736

SCHEMBL11039736

CCCN(CCC)C1CCc2ccc(OC)c([N+](=O)[O-])c2C1

nearest known ligand 0.65

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.57
DRD3 P35462 4/20 0.57
DRD4 P21917 3/20 0.57

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
SCHEMBL10894722 0.91 DRD2 (0.63) DRD2DRD3DRD4
SCHEMBL10639140 0.84 DRD2 (0.58) DRD2DRD3DRD4
SCHEMBL11042681 0.81 DRD2 (0.62) DRD2DRD3DRD4
SCHEMBL2218622 0.79 DRD2 (0.82) DRD2DRD3DRD4
Hydrochloric Acid SCHEMBL9355015 0.78 DRD2 (0.81) DRD2DRD3DRD4
SCHEMBL8315422 0.78 HTR1A (0.53) DRD2DRD3
SCHEMBL10895464 0.77 ALDH1A1 (0.58) DRD2DRD3DRD4
SCHEMBL29383922 0.75 ALDH1A1 (0.65) DRD2DRD3DRD4
SCHEMBL8891564 0.75 DRD2 (0.75) DRD2DRD3DRD4
Bromide SCHEMBL10894914 0.74 DRD2 (0.66) DRD2DRD3DRD4

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-4442126-A PARKINSON*S DISEASE, CARDIOVASCULAR DISORDERS SYNTHELABO (FR) 1984-04-10 US disclosed