SCHEMBL7501988

SCHEMBL7501988

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

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 15/20 0.50
MCHR1 Q99705 1/20 0.41
HIF1A Q16665 1/20 0.39
EPAS1 Q99814 1/20 0.39
DRD2 P14416 2/20 0.39
DRD3 P35462 2/20 0.39
MOGAT2 Q3SYC2 1/20 0.39
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
BACE1 P56817 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL7488941 0.89 DRD4 (0.50) DRD4DRD3MOGAT2
SCHEMBL7498335 0.88 DRD4 (0.52) DRD4DRD2
SCHEMBL7495139 0.87 DRD4 (0.40) DRD4DRD2DRD3KDM4EALDH1A1
SCHEMBL7497767 0.87 DRD4 (0.52) DRD4DRD2DRD3ALDH1A1
SCHEMBL7497797 0.85 DRD4 (0.46) DRD4DRD2DRD3
SCHEMBL7502764 0.85 DRD4 (0.50) DRD4DRD2
SCHEMBL7498678 0.85 DRD4 (0.57) DRD4DRD2DRD3
SCHEMBL8330452 0.81 ALDH1A1 (0.43) MCHR1BCHEACHEBACE1KDM4E
SCHEMBL7495891 0.79 DRD4 (0.50) DRD4DRD3MOGAT2BCHEACHE
SCHEMBL8616978 0.78 DRD4 (0.52) DRD4MCHR1HIF1AEPAS1DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0760362-B1 DIAMINOMETHYLIDENE DERIVATIVE NISSHIN SEIFUN GROUP INC (JP) 2002-08-14 EP disclosed
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