SCHEMBL7208521

SCHEMBL7208521

O=[N+]([O-])c1ccc2c(c1)NCC=CC2

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PNMT P11086 7/20 0.43
ADRA2A P08913 5/20 0.43
MAPT P10636 3/20 0.42
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
TDP2 O95551 1/20 0.41
ADRA2B P18089 2/20 0.40
ADRA2C P18825 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
LMNA P02545 1/20 0.40
TLR9 Q9NR96 1/20 0.40
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38

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
SCHEMBL7539847 0.77 PNMT (0.51) PNMTADRA2AMAPTRAB9ATDP2
SCHEMBL427407 0.75 PNMT (0.58) PNMTADRA2AMAPTRAB9ANPC1
SCHEMBL31378863 0.75 PNMT (0.58) PNMTADRA2AMAPTRAB9ANPC1
SCHEMBL8470839 0.72 CA9 (0.46) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL395008 0.72 PNMT (0.51) PNMTADRA2AMAPTRAB9ANPC1
SCHEMBL29581896 0.72 PNMT (0.51) PNMTADRA2AMAPTRAB9ANPC1
Hydrogen Sulfide SCHEMBL28330489 0.71 PNMT (0.50) PNMTADRA2AMAPTRAB9ANPC1
SCHEMBL397538 0.71 PNMT (0.50) PNMTADRA2AMAPTRAB9ANPC1
SCHEMBL6636013 0.71 PNMT (0.62) PNMTADRA2AMAPTRAB9ANPC1
SCHEMBL8471105 0.70 PNMT (0.45) PNMTADRA2AMAPTRAB9ATDP2

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-1011679-B1 USE OF 8-NITRO-2,3,4,5-TETRAHYDRO-1H-3-BENZAZEPINES FOR THE MANUFACTURE OF A PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OF SLEEP DISORDERS ADDEX PHARMACEUTICALS SA (CH) 2003-07-30 EP disclosed