SCHEMBL8328605

SCHEMBL8328605

CNC(NC1CN(Cc2ccc(F)cc2)C1)C(C#N)C#N

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.43
ACHE P22303 2/20 0.43
BACE1 P56817 2/20 0.43
FAAH O00519 1/20 0.40
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
MAPK1 P28482 1/20 0.39
MLNR O43193 3/20 0.39
CYP3A4 P08684 2/20 0.39
DRD2 P14416 4/20 0.37
DRD3 P35462 4/20 0.37
DRD4 P21917 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
SCHEMBL8331028 0.89 BCHE (0.49) BCHEACHEBACE1DRD2DRD3
SCHEMBL7491973 0.79 OPRK1 (0.38) DRD2DRD3DRD4
SCHEMBL8326116 0.77 SLC6A4 (0.47)
SCHEMBL8328840 0.77 CARM1 (0.42) MAPK1
SCHEMBL8326337 0.76 POLB (0.49)
SCHEMBL7488941 0.75 DRD4 (0.50) CYP3A4DRD3DRD4
SCHEMBL8329776 0.73 ACHE (0.46) ACHEMAPK1
SCHEMBL8328601 0.71 BCHE (0.41) BCHEACHEBACE1FAAHMLNR
SCHEMBL8624159 0.70 BCHE (0.40) BCHEACHEBACE1FAAHMLNR
SCHEMBL8325593 0.70 SPHK2 (0.41) CTSSCTSKMAPK1

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