SCHEMBL8618079

SCHEMBL8618079

CNCC(C#N)(C#N)N1CCN(Cc2ccc(F)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.43
MAPK1 P28482 2/20 0.43
MAPT P10636 1/20 0.42
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL8620320 0.75 BCHE (0.48)
SCHEMBL24323784 0.74 CARM1 (0.59) NCF1MAPK1MAPTKDM4E
SCHEMBL10245285 0.74 MAPT (0.53) MAPK1MAPTKDM4E
SCHEMBL8622104 0.73 SLC6A4 (0.44)
SCHEMBL8117468 0.72 MAPT (0.67) MAPK1MAPTKDM4E
SCHEMBL8624159 0.72 BCHE (0.40) NCF1
SCHEMBL5060366 0.72 MAPT (0.54) MAPK1MAPTKDM4E
SCHEMBL8328840 0.71 CARM1 (0.42) MAPK1MAPT
SCHEMBL19231628 0.70 KDM4E (0.51) MAPK1MAPTKDM4E
SCHEMBL8329776 0.69 ACHE (0.46) NCF1MAPK1MAPTKDM4E

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