SCHEMBL5533242

SCHEMBL5533242

O=Cc1ccc([C@H]2CN(Cc3ccccc3)CCN2Cc2ccccc2)cc1.[Li]CCCC

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.42
DRD2 P14416 2/20 0.40
DRD4 P21917 2/20 0.40
NR1H2 P55055 3/20 0.39
NR1H3 Q13133 2/20 0.39
BCHE P06276 2/20 0.38
ABL1 P00519 1/20 0.38
RIN1 Q13671 1/20 0.38
DRD3 P35462 1/20 0.37

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
SCHEMBL83046 0.89 DRD2 (0.47) SIGMAR1DRD2DRD4NR1H2NR1H3
SCHEMBL16226782 0.76 SIGMAR1 (0.55) SIGMAR1DRD4NR1H2NR1H3
SCHEMBL30109162 0.76 MEN1 (0.43) SIGMAR1DRD2DRD4BCHEABL1
SCHEMBL16640434 0.73 TACR1 (0.51) SIGMAR1DRD4BCHE
SCHEMBL82746 0.73 RORC (0.52) SIGMAR1BCHE
SCHEMBL21105435 0.73 TACR1 (0.51) SIGMAR1DRD4BCHE
SCHEMBL2041903 0.72 L3MBTL1 (0.48) DRD2DRD4DRD3
SCHEMBL83711 0.70 HRH3 (0.50) SIGMAR1DRD2DRD3
SCHEMBL31269715 0.70 NR1H2 (0.46) DRD2DRD4NR1H2NR1H3BCHE
SCHEMBL11706699 0.69 MC4R (0.43) SIGMAR1NR1H2NR1H3BCHE

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1805164-A2 6-(PYRIDINYL)-4-PYRIMIDONE DERIVATES AS TAU PROTEIN KINASE 1 INHIBITORS Mitsubishi Pharma Corporation (JP) 2007-07-11 EP disclosed
WO-2006036015-A2 6- (PYRIDINYL) -4-PYRIMIDONE DERIVATES AS TAU PROTEIN KINASE 1 INHIBITORS MITSUBISHI PHARMA CORPORATION (JP) 2006-04-06 WO disclosed