SCHEMBL7501986

SCHEMBL7501986

CN(C(=O)C1CCCCN1)c1ccc(Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 1/20 0.53
SLC6A2 P23975 4/20 0.46
SLC6A4 P31645 4/20 0.46
SLC6A3 Q01959 4/20 0.46
PFKFB2 O60825 1/20 0.43
PFKFB1 P16118 1/20 0.43
PFKFB3 Q16875 1/20 0.43
PDK2 Q15119 4/20 0.42
CNR2 P34972 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
SCHEMBL7501629 0.96 SCN4A (0.58) SCN4ASLC6A2SLC6A4SLC6A3PFKFB2
SCHEMBL15650741 0.86 SCN4A (0.53) SCN4ASLC6A2SLC6A4SLC6A3PFKFB2
SCHEMBL26364480 0.86 SCN4A (0.53) SCN4APFKFB2PFKFB1PFKFB3
SCHEMBL29517131 0.81 SCN4A (0.58) SCN4APFKFB2PFKFB1PFKFB3
SCHEMBL13723611 0.81 SCN4A (0.58) SCN4ASLC6A3PFKFB2PFKFB1PFKFB3
SCHEMBL26364702 0.81 SCN4A (0.58) SCN4APFKFB2PFKFB1PFKFB3
SCHEMBL26364558 0.81 SCN4A (0.58) SCN4APFKFB2PFKFB1PFKFB3
SCHEMBL18580371 0.81 SCN4A (0.65) SCN4ASLC6A2SLC6A4SLC6A3PFKFB2
SCHEMBL30715013 0.80 SCN4A (0.57) SCN4APFKFB2PFKFB1PFKFB3
SCHEMBL26256073 0.78 SCN4A (0.42) SCN4ASLC6A2SLC6A4SLC6A3CNR2

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-0826673-B1 ACETAMIDE DERIVATIVES, PROCESS FOR PRODUCING THE SAME, AND MEDICINAL COMPOSITION CONTAINING THE SAME DAINIPPON PHARMACEUTICAL CO (JP) 2002-11-20 EP disclosed
US-5972946-A NERVOUS SYSTEM DISORDERS; PSYCHOLOGICAL DISORDERS DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1999-10-26 US disclosed
EP-0826673-A1 ACETAMIDE DERIVATIVES, PROCESS FOR PRODUCING THE SAME, AND MEDICINAL COMPOSITION CONTAINING THE SAME DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1998-03-04 EP disclosed