SCHEMBL6682373

SCHEMBL6682373

O=[N+]([O-])c1cc(I)c2c(c1)CNCCC2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 6/20 0.50
ADRA2A P08913 3/20 0.50
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
XDH P47989 1/20 0.37
CYP19A1 P11511 1/20 0.35
VCAM1 P19320 1/20 0.34
MAPT P10636 1/20 0.34
GFER P55789 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33
GRIN2C Q14957 1/20 0.33
GRIN3A Q8TCU5 1/20 0.33
HTR1D P28221 1/20 0.33

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
SCHEMBL5874024 0.91 PNMT (0.56) PNMTADRA2AMEN1KMT2ALMNA
SCHEMBL31034844 0.91 PNMT (0.56) PNMTADRA2AMEN1KMT2ALMNA
SCHEMBL29310335 0.82 PNMT (0.56) PNMTADRA2AMEN1KMT2ALMNA
SCHEMBL31357961 0.82 PNMT (0.56) PNMTADRA2AMEN1KMT2ALMNA
SCHEMBL5435437 0.80 PNMT (0.50) PNMTADRA2AMEN1KMT2ALMNA
SCHEMBL24773896 0.76 PNMT (0.56) PNMTADRA2ACYP19A1VCAM1HTR1D
SCHEMBL1074232 0.74 PNMT (0.82) PNMTADRA2AADRA2BADRA2C
SCHEMBL6294929 0.74 PNMT (0.58) PNMTADRA2AMEN1KMT2ACYP19A1
SCHEMBL5442760 0.70 LMNA (0.47) MEN1KMT2ALMNAHTTXDH
SCHEMBL24774365 0.70 PNMT (0.52) PNMTADRA2ALMNAHTTCYP19A1

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
EP-1487801-A1 7-ARYLSULFONAMIDO-2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINE DERIVATIVES WITH 5-HT6 RECEPTOR AFFINITY FOR THE TREATMENT OF CNS DISORDERS GLAXO GROUP LIMITED (GB) 2004-12-22 EP disclosed
WO-2003068751-A1 7-ARYLSULFONAMIDO-2,3,4,5-TETRAHYDRO-1H-BENZO'DIAZEPINE DERIVATIVES WITH 5-HT6 RECEPTOR AFFINITY FOR THE REATMENT OF CNS DISORDERS GLAXO GROUP LIMITED (GB) 2003-08-21 WO disclosed