SCHEMBL8328840

SCHEMBL8328840

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

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 1/20 0.42
PRMT6 Q96LA8 1/20 0.42
MAPK1 P28482 1/20 0.40
MAPT P10636 1/20 0.39
TNIK Q9UKE5 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 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
SCHEMBL8326116 0.81 SLC6A4 (0.47) SLC6A4SLC6A3
SCHEMBL24323784 0.80 CARM1 (0.59) CARM1PRMT6MAPK1MAPT
SCHEMBL8331028 0.78 BCHE (0.49)
SCHEMBL8329776 0.77 ACHE (0.46) MAPK1MAPT
SCHEMBL8328605 0.77 BCHE (0.43) MAPK1
SCHEMBL8326337 0.75 POLB (0.49) SLC6A4SLC6A3
SCHEMBL7488941 0.74 DRD4 (0.50) SLC6A4
SCHEMBL8328838 0.72 MAPK1 (0.50) MAPK1
SCHEMBL8325593 0.71 SPHK2 (0.41) MAPK1
SCHEMBL8618079 0.71 NCF1 (0.43) MAPK1MAPT

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