SCHEMBL8620320

SCHEMBL8620320

CNCC(C#N)(C#N)NC1CCN(Cc2ccc(F)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.48
ACHE P22303 2/20 0.48
BACE1 P56817 2/20 0.48
SIGMAR1 Q99720 5/20 0.45
PRKAA2 P54646 3/20 0.43
DRD2 P14416 2/20 0.43
DRD4 P21917 2/20 0.43
DRD3 P35462 2/20 0.43
CACNA1G O43497 2/20 0.43
MCHR1 Q99705 2/20 0.42
SLC6A12 P48065 1/20 0.42
TMEM97 Q5BJF2 1/20 0.42

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 0.88 BCHE (0.40) BCHEACHEBACE1DRD2DRD3
SCHEMBL8324168 0.84 DRD2 (0.39) BCHEACHEBACE1PRKAA2DRD2
SCHEMBL8622104 0.84 SLC6A4 (0.44) CACNA1G
SCHEMBL8151042 0.76 BCHE (0.62) BCHEACHEBACE1SIGMAR1PRKAA2
SCHEMBL8617203 0.76 POLB (0.48)
SCHEMBL8618079 0.75 NCF1 (0.43)
SCHEMBL8618835 0.73 DRD4 (0.51) SIGMAR1DRD4DRD3
SCHEMBL8331028 0.72 BCHE (0.49) BCHEACHEBACE1SIGMAR1PRKAA2
SCHEMBL8621242 0.72 SPHK2 (0.38)
SCHEMBL8329414 0.71 SIGMAR1 (0.53) BCHEACHEBACE1SIGMAR1PRKAA2

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