SCHEMBL3458670

SCHEMBL3458670

Brc1ccccc1[C@H]1CCCNC1

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.51
HTR2C P28335 4/20 0.51
DRD2 P14416 1/20 0.44
DRD3 P35462 1/20 0.44
KCNH2 Q12809 1/20 0.43
HTR6 P50406 1/20 0.43

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
SCHEMBL27201665 1.00 HTR2A (0.51) HTR2AHTR2CDRD2DRD3KCNH2
SCHEMBL27841195 0.89 HTR2C (0.49) HTR2AHTR2C
SCHEMBL9773283 0.89 HTR2C (0.49) HTR2AHTR2C
SCHEMBL27821867 0.89 HTR2C (0.49) HTR2AHTR2C
Hydrochloric Acid SCHEMBL31278837 0.87 HTR2C (0.49) HTR2AHTR2C
SCHEMBL22132292 0.83 HTR2A (0.47) HTR2AHTR2CDRD2DRD3KCNH2
SCHEMBL22136718 0.83 HTR2C (0.50) HTR2AHTR2CDRD2DRD3
SCHEMBL2145272 0.79 HTR6 (0.45) HTR2ADRD2DRD3HTR6
SCHEMBL6173955 0.79 IKBKB (0.44) HTR2AHTR2CDRD2DRD3KCNH2
SCHEMBL15830285 0.79 HTR2C (0.62) HTR2AHTR2C

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-2261224-A2 6-(Pyridinyl)-4-pyrimidone derivatives as tau protein kinase 1 inhibitors Mitsubishi Tanabe Pharma Corporation (JP) 2010-12-15 EP disclosed