SCHEMBL7911218

SCHEMBL7911218

CN=C(N)NC(=O)c1cnc2c(c1[N+](=O)[O-])CCCCC2

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.31
ATM Q13315 1/20 0.31
PDE4B Q07343 1/20 0.30
PDE4D Q08499 1/20 0.30

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
SCHEMBL7916797 0.81 NNMT (0.35) MAPT
SCHEMBL7916825 0.80 ACHE (0.35) MAPT
SCHEMBL7903016 0.69 ADRA2A (0.44) MAPT
SCHEMBL7916798 0.69 ADRA2A (0.44) MAPT
SCHEMBL7912936 0.68 ADRA2A (0.45) MAPT
Dimethylamine SCHEMBL7911323 0.68 ADRA2A (0.42) MAPT
SCHEMBL7910325 0.68 GRM5 (0.36) MAPT
Fumaric Acid SCHEMBL8138269 0.64 ADRA2A (0.39) MAPT
SCHEMBL7911213 0.64 CACNB4 (0.37) MAPTATM
SCHEMBL927448 0.63 NPC1 (0.32) MAPT

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