SCHEMBL8328838

SCHEMBL8328838

CNC(NCCN1CCN(Cc2ccc(F)cc2)CC1)=C(C#N)C#N

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.50
FAAH O00519 2/20 0.41
DRD4 P21917 1/20 0.40
ACHE P22303 1/20 0.39
CHRM2 P08172 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
SCHEMBL8326114 0.81 MEN1 (0.48) CHRM2
SCHEMBL8329414 0.79 SIGMAR1 (0.53) ACHE
SCHEMBL8329774 0.78 MAPK1 (0.48) MAPK1FAAH
SCHEMBL8328601 0.77 BCHE (0.41) FAAHDRD4ACHE
SCHEMBL24323784 0.76 CARM1 (0.59) MAPK1
SCHEMBL8326334 0.76 KMT2A (0.56)
SCHEMBL7488935 0.75 DRD3 (0.51) DRD4
SCHEMBL23751084 0.74 MAPK1 (0.55) MAPK1FAAH
SCHEMBL8328840 0.72 CARM1 (0.42) MAPK1
SCHEMBL8325591 0.72 OPRM1 (0.40)

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 3 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
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