SCHEMBL6660181

SCHEMBL6660181

CC(C)(C)c1ccc(OCCCNc2cc([N+](=O)[O-])cc[n+]2[O-])cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.46
KDM4E B2RXH2 2/20 0.42
GAA P10253 2/20 0.42
MITF O75030 1/20 0.42
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 0.41
KMT2A Q03164 7/20 0.41
MEN1 O00255 6/20 0.41
MAPT P10636 5/20 0.41
LMNA P02545 4/20 0.41
ALDH1A1 P00352 3/20 0.41
NPC1 O15118 4/20 0.40
RAB9A P51151 2/20 0.40
POLB P06746 1/20 0.40
CASP3 P42574 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KCNH2 Q12809 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
SCHEMBL6659197 0.88 MAPT (0.54) GAADRD2DRD4DRD3KMT2A
SCHEMBL6656984 0.88 MEN1 (0.51) HTR6GAADRD2DRD4DRD3
SCHEMBL6656820 0.85 DRD2 (0.54) DRD2DRD4DRD3KMT2AMEN1
SCHEMBL6658888 0.83 MAPT (0.61) GAAKMT2AMEN1MAPTLMNA
SCHEMBL6661644 0.82 DRD2 (0.50) DRD2DRD4DRD3KMT2AMEN1
SCHEMBL6658613 0.81 PPARG (0.46) KDM4EDRD2DRD4DRD3KMT2A
SCHEMBL6657196 0.81 MEN1 (0.57) KDM4EKMT2AMEN1MAPTLMNA
SCHEMBL6658791 0.81 KCNH2 (0.46) GAAKMT2AMEN1MAPTLMNA
SCHEMBL6660405 0.81 KCNH2 (0.45) GAAKMT2AMEN1MAPTLMNA
SCHEMBL6662210 0.80 MAPT (0.56) KDM4EDRD2DRD4DRD3KMT2A

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