SCHEMBL8616978

SCHEMBL8616978

CNCC(C#N)(C#N)NCC1CN(Cc2ccc(C(F)(F)F)cc2)CCO1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 17/20 0.52
HIF1A Q16665 1/20 0.39
EPAS1 Q99814 1/20 0.39
MCHR1 Q99705 1/20 0.39
DRD2 P14416 2/20 0.39
DRD3 P35462 2/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39

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
SCHEMBL8618835 0.90 DRD4 (0.51) DRD4DRD3
SCHEMBL8620232 0.89 DRD4 (0.51) DRD4DRD2
SCHEMBL8621587 0.86 DRD4 (0.59) DRD4DRD2DRD3
SCHEMBL8619300 0.86 DRD4 (0.45) DRD4DRD2DRD3HDAC8HDAC6
SCHEMBL8618019 0.86 DRD4 (0.52) DRD4DRD2
SCHEMBL8624170 0.81 ALDH1A1 (0.43)
SCHEMBL7501988 0.78 DRD4 (0.50) DRD4HIF1AEPAS1MCHR1DRD2
SCHEMBL8709993 0.78 DRD4 (0.45) DRD4DRD3HDAC8HDAC6
SCHEMBL7501984 0.78 DRD4 (0.49) DRD4HIF1AEPAS1MCHR1DRD2
SCHEMBL8708425 0.77 DRD4 (0.48) DRD4DRD3

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