SCHEMBL6656984

SCHEMBL6656984

COc1ccc(OCCCNc2cc([N+](=O)[O-])cc[n+]2[O-])cc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
MAPT P10636 8/20 0.50
LMNA P02545 3/20 0.50
NPC1 O15118 2/20 0.49
ALDH1A1 P00352 4/20 0.45
HTR6 P50406 1/20 0.44
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
DRD3 P35462 1/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.42
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42

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
SCHEMBL6657196 0.91 MEN1 (0.57) MEN1KMT2AL3MBTL1MAPTLMNA
SCHEMBL6659197 0.91 MAPT (0.54) MEN1KMT2AL3MBTL1MAPTLMNA
SCHEMBL6656820 0.88 DRD2 (0.54) MEN1KMT2AL3MBTL1MAPTLMNA
SCHEMBL6660181 0.88 HTR6 (0.46) MEN1KMT2AL3MBTL1MAPTLMNA
SCHEMBL6658888 0.86 MAPT (0.61) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL6660405 0.85 KCNH2 (0.45) MEN1KMT2AMAPTLMNANPC1
SCHEMBL6661644 0.85 DRD2 (0.50) MEN1KMT2AMAPTLMNANPC1
SCHEMBL6658613 0.84 PPARG (0.46) MEN1KMT2AL3MBTL1MAPTLMNA
SCHEMBL6658791 0.84 KCNH2 (0.46) MEN1KMT2AMAPTLMNANPC1
SCHEMBL6662210 0.83 MAPT (0.56) MEN1KMT2AL3MBTL1MAPTLMNA

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