SCHEMBL6660405

SCHEMBL6660405

COC(=O)CCc1ccc(OCCCNc2cc([N+](=O)[O-])cc[n+]2[O-])cc1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.45
KMT2A Q03164 6/20 0.42
MAPT P10636 5/20 0.42
MEN1 O00255 5/20 0.42
ALDH1A1 P00352 4/20 0.42
LMNA P02545 2/20 0.42
NPC1 O15118 2/20 0.41
GAA P10253 1/20 0.40
LTA4H P09960 1/20 0.40
PKM P14618 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
SCHEMBL6658791 0.91 KCNH2 (0.46) KCNH2KMT2AMAPTMEN1ALDH1A1
SCHEMBL6656984 0.85 MEN1 (0.51) KMT2AMAPTMEN1ALDH1A1LMNA
SCHEMBL6659197 0.83 MAPT (0.54) KCNH2KMT2AMAPTMEN1ALDH1A1
SCHEMBL6656115 0.83 KCNH2 (0.41) KCNH2KMT2AMAPTMEN1ALDH1A1
SCHEMBL6656820 0.81 DRD2 (0.54) KMT2AMAPTMEN1ALDH1A1LMNA
SCHEMBL6658888 0.81 MAPT (0.61) KMT2AMAPTMEN1ALDH1A1LMNA
SCHEMBL6660181 0.81 HTR6 (0.46) KCNH2KMT2AMAPTMEN1ALDH1A1
SCHEMBL6657196 0.79 MEN1 (0.57) KMT2AMAPTMEN1ALDH1A1LMNA
SCHEMBL6661644 0.78 DRD2 (0.50) KMT2AMAPTMEN1ALDH1A1LMNA
SCHEMBL6658613 0.77 PPARG (0.46) KMT2AMAPTMEN1ALDH1A1LMNA

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