SCHEMBL7025670

SCHEMBL7025670

O=C(O)NCCCCn1cnc([N+](=O)[O-])c1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.45
MAPT P10636 2/20 0.41
QPCTL Q9NXS2 4/20 0.40
HIF1A Q16665 1/20 0.39
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CPB2 Q96IY4 1/20 0.37
CYP19A1 P11511 1/20 0.37

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
SCHEMBL7024536 0.77 CPB2 (0.40) CPB2
SCHEMBL14696607 0.77 L3MBTL1 (0.53) TAAR1L3MBTL1MAPTHIF1AMEN1
SCHEMBL27972864 0.77 L3MBTL1 (0.48) TAAR1L3MBTL1HIF1AALDH1A1
SCHEMBL7016796 0.77 L3MBTL1 (0.45) TAAR1L3MBTL1MAPTHIF1AALDH1A1
SCHEMBL9730065 0.76 L3MBTL1 (0.44) TAAR1L3MBTL1MAPTALDH1A1HTT
SCHEMBL28281549 0.76 L3MBTL1 (0.47) TAAR1L3MBTL1HIF1AALDH1A1
SCHEMBL28281482 0.76 L3MBTL1 (0.47) TAAR1L3MBTL1HIF1AALDH1A1
SCHEMBL28813221 0.75 L3MBTL1 (0.46) TAAR1L3MBTL1MAPTHIF1AALDH1A1
SCHEMBL19406117 0.75 L3MBTL1 (0.46) TAAR1L3MBTL1MAPTALDH1A1HTT
SCHEMBL4412173 0.75 L3MBTL1 (0.46) TAAR1L3MBTL1MAPTHIF1AALDH1A1

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-1026170-B1 Erythromycin derivatives, their preparation and use as medicaments AVENTIS PHARMA SA (FR) 2003-01-15 EP disclosed
EP-1026170-A1 Erythromycin derivatives, their preparation and use as medicaments HOECHST MARION ROUSSEL (FR) 2000-08-09 EP disclosed