SCHEMBL8624159

SCHEMBL8624159

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

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.40
ACHE P22303 2/20 0.40
BACE1 P56817 2/20 0.40
DRD2 P14416 3/20 0.37
DRD3 P35462 3/20 0.37
MLNR O43193 2/20 0.36
CYP3A4 P08684 1/20 0.36
NCF1 P14598 1/20 0.35
FAAH O00519 1/20 0.35
CACNA1G O43497 2/20 0.35
KAT2B Q92831 1/20 0.35
CHRM2 P08172 1/20 0.35
S1PR5 Q9H228 1/20 0.34

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
SCHEMBL8324168 0.91 DRD2 (0.39) BCHEACHEBACE1DRD2DRD3
SCHEMBL8620320 0.88 BCHE (0.48) BCHEACHEBACE1DRD2DRD3
SCHEMBL8622104 0.76 SLC6A4 (0.44) CACNA1G
SCHEMBL8617203 0.75 POLB (0.48) KAT2B
SCHEMBL8618835 0.74 DRD4 (0.51) DRD3CYP3A4
SCHEMBL8618079 0.72 NCF1 (0.43) NCF1
SCHEMBL8328601 0.71 BCHE (0.41) BCHEACHEBACE1DRD2DRD3
SCHEMBL8328605 0.70 BCHE (0.43) BCHEACHEBACE1DRD2DRD3
SCHEMBL8621242 0.69 SPHK2 (0.38)
SCHEMBL8712330 0.69 L3MBTL1 (0.35)

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
US-5753654-A GASTROINTESTINAL DISORDERS NISSHIN FLOUR MILLING CO., LTD. (JP) 1998-05-19 US disclosed
US-5736550-A TREATMENT OF GASTROINTESTINAL TRACT DISORDERS NISSHIN FLOUR MILLING CO., LTD. (JP) 1998-04-07 US disclosed