SCHEMBL8324168

SCHEMBL8324168

CNCC(C#N)(C#N)N[C@@H]1CC2CN(Cc3ccc(F)cc3)C[C@@H]2C1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.39
DRD3 P35462 3/20 0.39
BCHE P06276 2/20 0.37
ACHE P22303 2/20 0.37
BACE1 P56817 2/20 0.37
MLNR O43193 3/20 0.34
CYP3A4 P08684 2/20 0.34
DRD4 P21917 1/20 0.34
LIPE Q05469 1/20 0.33
CACNA1G O43497 1/20 0.33
NCF1 P14598 1/20 0.33
HRH4 Q9H3N8 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
PRKAA2 P54646 1/20 0.32

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
SCHEMBL8624159 0.91 BCHE (0.40) DRD2DRD3BCHEACHEBACE1
SCHEMBL8620320 0.84 BCHE (0.48) DRD2DRD3BCHEACHEBACE1
SCHEMBL8622104 0.73 SLC6A4 (0.44) CACNA1G
SCHEMBL4758049 0.72 BCHE (0.48) DRD2DRD3BCHEACHEBACE1
SCHEMBL8617203 0.72 POLB (0.48)
SCHEMBL8618835 0.71 DRD4 (0.51) DRD3CYP3A4DRD4
SCHEMBL8618079 0.69 NCF1 (0.43) NCF1
SCHEMBL8321870 0.67 S1PR5 (0.46) DRD2DRD3BCHEACHEBACE1
SCHEMBL8327714 0.67 BCHE (0.43) DRD2DRD3BCHEACHEBACE1
SCHEMBL8621242 0.66 SPHK2 (0.38)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0760368-B1 PYRIMIDINE DERIVATIVES NISSHIN FLOUR MILLING CO (JP) 1999-07-28 EP disclosed
EP-0760362-A1 NOVEL DIAMINOMETHYLIDENE DERIVATIVE NISSHIN FLOUR MILLING CO., LTD. (JP) 1997-03-05 EP disclosed
EP-0760368-A1 NOVEL PYRIMIDINE DERIVATIVE NISSHIN FLOUR MILLING CO., LTD. (JP) 1997-03-05 EP disclosed