SCHEMBL6678280

SCHEMBL6678280

CC(C)(N)Cc1ccc(NC(N)=N[N+](=O)[O-])cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 17/20 0.45
ADRB3 P13945 1/20 0.40
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39
GRIN3A Q8TCU5 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
SLC6A2 P23975 1/20 0.39
HTR2A P28223 1/20 0.39
SLC6A4 P31645 1/20 0.39
HRH1 P35367 1/20 0.39
HTR2B P41595 1/20 0.39
CHRNA4 P43681 1/20 0.39
SLC6A3 Q01959 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
Hydrochloric Acid SCHEMBL6675202 0.99 GHSR (0.44) GHSRADRB3GRIN2DGRIN3BGRIN1
SCHEMBL6676200 0.81 LOXL2 (0.44) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL6678162 0.80 PRMT1 (0.40)
SCHEMBL6680162 0.79 TAAR1 (0.39) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL6676407 0.78 NOS3 (0.39) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Hydrochloric Acid SCHEMBL7245683 0.78 TAAR1 (0.38) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL11879070 0.77 GRIN2D (0.54) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8854032 0.77 KMT2A (0.48)
SCHEMBL6675279 0.77 HRH3 (0.56) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL6676314 0.76 NAMPT (0.51)

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0798292-B1 ANILINE DERIVATIVES HAVING NITROGEN MONOXIDE SYNTHASE INHIBITORY ACTIVITY CHUGAI SEIYAKUKABUSHIKI KAISHA (JP) 2004-11-03 EP claimed