SCHEMBL7208524

SCHEMBL7208524

O=[N+]([O-])c1ccc2c(c1)C=CNCC2

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PNMT P11086 7/20 0.53
ADRA2A P08913 5/20 0.53
HTR1A P08908 1/20 0.40
CA9 Q16790 3/20 0.40
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 1/20 0.40
TDP2 O95551 1/20 0.40
ADRA2B P18089 2/20 0.39
ADRA2C P18825 2/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
TLR9 Q9NR96 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
SCHEMBL3442079 0.76 CA9 (0.47) PNMTADRA2ACA9CA12CA1
SCHEMBL9256419 0.74 PNMT (0.47) PNMTADRA2ATDP2ADRA2BADRA2C
SCHEMBL8766380 0.73 CA9 (0.44) PNMTADRA2ACA9CA12CA1
SCHEMBL717840 0.71 PNMT (0.81) PNMTADRA2ATDP2ADRA2BADRA2C
SCHEMBL22113992 0.71 PARP1 (0.32)
SCHEMBL7470998 0.71 PNMT (0.47) PNMTADRA2ACA9CA12CA1
SCHEMBL2728137 0.71 CA9 (0.49) PNMTADRA2ACA9CA12CA1
SCHEMBL8765980 0.71 GRIN2B (0.41) PNMTADRA2ACA9ADRA2BADRA2C
SCHEMBL427407 0.70 PNMT (0.58) PNMTADRA2AHTR1ATDP2ADRA2B
SCHEMBL31378863 0.70 PNMT (0.58) PNMTADRA2AHTR1ATDP2ADRA2B

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