SCHEMBL6659094

SCHEMBL6659094

CC(=O)c1cccc(OCCCNc2cc([N+](=O)[O-])cc[n+]2[O-])c1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.54
MAOA P21397 2/20 0.53
MEN1 O00255 6/20 0.48
KMT2A Q03164 6/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
ALDH1A1 P00352 5/20 0.47
MAPT P10636 3/20 0.44
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
POLB P06746 1/20 0.42
CHRNB2 P17787 1/20 0.41
CHRNA4 P43681 1/20 0.41

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
SCHEMBL6664855 0.91 MAOB (0.52) MAOBMAOAMEN1KMT2AL3MBTL1
SCHEMBL6659831 0.91 MEN1 (0.51) MAOBMAOAMEN1KMT2AL3MBTL1
SCHEMBL6659471 0.89 MEN1 (0.47) MAOBMAOAMEN1KMT2AL3MBTL1
SCHEMBL6657196 0.87 MEN1 (0.57) MEN1KMT2AL3MBTL1ALDH1A1MAPT
SCHEMBL6662210 0.86 MAPT (0.56) MEN1KMT2AL3MBTL1ALDH1A1MAPT
SCHEMBL6656820 0.85 DRD2 (0.54) MEN1KMT2AL3MBTL1ALDH1A1MAPT
SCHEMBL6660189 0.83 DRD2 (0.46) MEN1KMT2AL3MBTL1ALDH1A1MAPT
SCHEMBL6656945 0.82 MEN1 (0.48) MAOBMAOAMEN1KMT2AL3MBTL1
SCHEMBL6662627 0.82 MEN1 (0.41) MAOBMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL6661644 0.82 DRD2 (0.50) MEN1KMT2AALDH1A1MAPTSMN1; SMN2

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
WO-2004004715-A2 NOVEL DELTA OPIOID RECEPTOR LIGANDS GLAXOSMITHKLINE SPA (IT) 2004-01-15 WO disclosed