SCHEMBL8329774

SCHEMBL8329774

CNC(=C(C#N)C#N)N1CCN(Cc2ccc(F)cc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.48
FAAH O00519 1/20 0.47

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
SCHEMBL8329011 0.82 PRKAA2 (0.53) FAAH
SCHEMBL8713729 0.81 GAA (0.50)
SCHEMBL8328838 0.78 MAPK1 (0.50) MAPK1FAAH
SCHEMBL8329414 0.75 SIGMAR1 (0.53)
SCHEMBL8326114 0.73 MEN1 (0.48)
SCHEMBL8328601 0.73 BCHE (0.41) FAAH
SCHEMBL8117468 0.72 MAPT (0.67) MAPK1
SCHEMBL11194507 0.71 FAAH (0.47) FAAH
SCHEMBL11194510 0.71 FAAH (0.47) FAAH
SCHEMBL27718903 0.70 FAAH (0.62) FAAH

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 5 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
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
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