SCHEMBL7911213

SCHEMBL7911213

Cc1nc2c(c([N+](=O)[O-])c1C(=O)NC(=N)N)CCCCC2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNB4 O00305 2/20 0.37
CACNA1A O00555 2/20 0.37
CACNA1G O43497 2/20 0.37
CACNG3 O60359 2/20 0.37
CACNA1F O60840 2/20 0.37
CACNA1H O95180 2/20 0.37
CACNB3 P54284 2/20 0.37
CACNA2D1 P54289 2/20 0.37
CACNG7 P62955 2/20 0.37
CACNA1B Q00975 2/20 0.37
CACNA1D Q01668 2/20 0.37
CACNB1 Q02641 2/20 0.37
CACNG1 Q06432 2/20 0.37
CACNB2 Q08289 2/20 0.37
CACNA1S Q13698 2/20 0.37
CACNA1C Q13936 2/20 0.37
CACNA1E Q15878 2/20 0.37
CACNA2D4 Q7Z3S7 2/20 0.37
CACNA2D3 Q8IZS8 2/20 0.37
CACNG8 Q8WXS5 2/20 0.37

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
SCHEMBL7916795 0.81 KDM4E (0.38) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL7910360 0.80 PRNP (0.42) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL7916819 0.79 ACHE (0.38) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL7916774 0.75 CACNB4 (0.54) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL927184 0.67 SLC9A1 (0.61) ACHEKDM4EMAPTATMEEF2K
SCHEMBL7916794 0.67 SLC9A1 (0.61) ACHEKDM4EMAPTATMEEF2K
SCHEMBL7912931 0.65 SLC9A1 (0.59) ACHEKDM4EMAPTATMEEF2K
SCHEMBL7910322 0.65 SLC9A1 (0.43) ACHEKDM4EMAPTSLC9A1ALDH1A1
SCHEMBL7911218 0.64 MAPT (0.31) MAPTATM
Maleic Acid SCHEMBL7916788 0.62 SLC9A1 (0.54) ACHEKDM4EMAPTATMEEF2K

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-6258829-B1 ANTIARRTHMIA AGENTS AND CARDIOVASCULAR DISORDERS TOA EIYO LTD. (JP) 2001-07-10 US disclosed
EP-0972767-A1 CYCLOALKA[b]PYRIDINE-3-CARBONYLGUANIDINE DERIVATIVES, PROCESS FOR PRODUCING THE SAME, AND DRUGS CONTAINING THE SAME TOA EIYO LTD. (JP) 2000-01-19 EP disclosed