SCHEMBL10573586

SCHEMBL10573586

CCCC(=O)N1CCNC1=N[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NAAA Q02083 2/20 0.48
▸ FAAH O00519 1/20 0.48
▸ CHRNB2 P17787 2/20 0.33
▸ CHRNA4 P43681 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.32
▸ GPR174 Q9BXC1 1/20 0.31
▸ GAA P10253 2/20 0.31
▸ CHRNA3 P32297 1/20 0.30
▸ CHRNB3 Q05901 1/20 0.30
▸ CHRNA6 Q15825 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
SCHEMBL10573577 1.00 NAAA (0.48) NAAAFAAHCHRNB2CHRNA4ALDH1A1
SCHEMBL10576528 0.82 CHRNB2 (0.34) NAAAFAAHCHRNB2CHRNA4HSD17B10
SCHEMBL10576525 0.82 CHRNB2 (0.34) NAAAFAAHCHRNB2CHRNA4HSD17B10
SCHEMBL10575505 0.82 CHRNB2 (0.33) NAAAFAAHCHRNB2CHRNA4
SCHEMBL10575764 0.80 KMT2A (0.39) NAAAFAAHCHRNB2CHRNA4ALDH1A1
SCHEMBL10575773 0.80 KMT2A (0.39) NAAAFAAHCHRNB2CHRNA4ALDH1A1
SCHEMBL7995353 0.80 ALDH1A1 (0.36) NAAAFAAHCHRNB2CHRNA4ALDH1A1
SCHEMBL7995355 0.80 ALDH1A1 (0.36) NAAAFAAHCHRNB2CHRNA4ALDH1A1
SCHEMBL10573990 0.77 CHRNB2 (0.37) CHRNB2CHRNA4ALDH1A1MAPT
SCHEMBL11370007 0.74 NAAA (0.77) NAAAFAAHCHRNB2CHRNA4ALDH1A1

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-0277317-A1 Nitro derivatives of 2-iminoimidazolidines and 2-iminotetrahydropyrimidines NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1988-08-10 — — EP claimed
US-4880933-A INSECTICIDES NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1989-11-14 — — US disclosed
EP-0277317-A1 Nitro derivatives of 2-iminoimidazolidines and 2-iminotetrahydropyrimidines NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1988-08-10 — — EP disclosed
Send feedback