SCHEMBL31348210

SCHEMBL31348210

COc1ccccc1N1CCN(CCCCNC(=O)n2ccnc2)CC1

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 12/20 0.69
DRD3 P35462 9/20 0.69
ADRA1A P35348 4/20 0.66
DRD4 P21917 4/20 0.64
HTR1A P08908 2/20 0.61
ADRA1D P25100 2/20 0.61
ADRA1B P35368 2/20 0.61
DRD1 P21728 1/20 0.61
HTR2A P28223 1/20 0.61
HTR2C P28335 1/20 0.61
HTR2B P41595 1/20 0.61

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
SCHEMBL8845095 1.00 DRD2 (0.69) DRD2DRD3ADRA1ADRD4HTR1A
SCHEMBL31348246 0.85 DRD3 (0.52) DRD2DRD3ADRA1ADRD4HTR1A
SCHEMBL19580052 0.81 DRD2 (0.81) DRD2DRD3ADRA1ADRD4HTR1A
SCHEMBL9650872 0.79 DRD2 (0.80) DRD2DRD3ADRA1ADRD4HTR1A
SCHEMBL14761722 0.79 DRD2 (1.00) DRD2DRD3ADRA1ADRD4HTR1A
SCHEMBL8445675 0.79 DRD2 (1.00) DRD2DRD3ADRA1ADRD4HTR1A
SCHEMBL3162960 0.78 DRD2 (0.76) DRD2DRD3DRD4
SCHEMBL10908587 0.78 DRD2 (0.83) DRD2DRD3ADRA1ADRD4HTR1A
SCHEMBL13922058 0.78 DRD2 (1.00) DRD2DRD3ADRA1ADRD4HTR1A
SCHEMBL8876209 0.78 DRD2 (0.82) DRD2DRD3ADRA1ADRD4HTR1A

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-2025006982-A1 POTENT AND SELECTIVE DOPAMINE D3 RECEPTOR ANTAGONISTS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2025-01-02 WO disclosed