SCHEMBL7916774

SCHEMBL7916774

CCOC(=O)c1c(C)nc2c(c1[N+](=O)[O-])CCCCC2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNB4 O00305 11/20 0.54
CACNA1A O00555 11/20 0.54
CACNA1G O43497 11/20 0.54
CACNG3 O60359 11/20 0.54
CACNA1F O60840 11/20 0.54
CACNA1H O95180 11/20 0.54
CACNB3 P54284 11/20 0.54
CACNA2D1 P54289 11/20 0.54
CACNG7 P62955 11/20 0.54
CACNA1B Q00975 11/20 0.54
CACNA1D Q01668 11/20 0.54
CACNB1 Q02641 11/20 0.54
CACNG1 Q06432 11/20 0.54
CACNB2 Q08289 11/20 0.54
CACNA1S Q13698 11/20 0.54
CACNA1C Q13936 11/20 0.54
CACNA1E Q15878 11/20 0.54
CACNA2D4 Q7Z3S7 11/20 0.54
CACNA2D3 Q8IZS8 11/20 0.54
CACNG8 Q8WXS5 11/20 0.54

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
SCHEMBL7910360 0.83 PRNP (0.42) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL7911213 0.75 CACNB4 (0.37) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL7902782 0.74 ALDH1A1 (0.40) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL11626481 0.70 MAPT (0.45)
SCHEMBL30593161 0.70 MAPT (0.45)
SCHEMBL6501518 0.70 ACHE (0.48) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL9270724 0.70 POLB (0.47)
SCHEMBL11628165 0.69 POLB (0.42)
SCHEMBL30593158 0.69 POLB (0.42)
SCHEMBL11727883 0.69 ALDH1A1 (0.44) CACNB4CACNA1ACACNA1GCACNG3CACNA1F

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