SCHEMBL7276978

SCHEMBL7276978

CC1CC(=O)NN=C1c1ccc(N2CCN(C=O)CC2)c([N+](=O)[O-])c1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GALR3 O60755 3/20 0.62
MAPT P10636 3/20 0.62
THRB P10828 1/20 0.62
ALDH1A1 P00352 2/20 0.60
GAA P10253 1/20 0.60
PDE3B Q13370 11/20 0.57
PDE3A Q14432 11/20 0.57
SLFN12 Q8IYM2 1/20 0.57
LMNA P02545 1/20 0.57
MAPK1 P28482 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.55
PDE4A P27815 2/20 0.48
PDE4B Q07343 2/20 0.48
PDE4C Q08493 2/20 0.48
PDE4D Q08499 2/20 0.48
GPR119 Q8TDV5 4/20 0.46

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
SCHEMBL16157089 0.88 MAPT (0.67) GALR3MAPTTHRBALDH1A1GAA
SCHEMBL7266917 0.87 GALR3 (0.66) GALR3MAPTTHRBALDH1A1GAA
SCHEMBL10472928 0.86 PDE3B (0.70) GALR3MAPTTHRBALDH1A1GAA
SCHEMBL7266778 0.85 MAPT (0.61) GALR3MAPTTHRBALDH1A1GAA
SCHEMBL7275694 0.85 GALR3 (0.61) GALR3MAPTTHRBALDH1A1GAA
SCHEMBL7274635 0.85 GALR3 (0.61) GALR3MAPTTHRBALDH1A1GAA
SCHEMBL7266508 0.85 GALR3 (0.67) GALR3MAPTTHRBALDH1A1GAA
SCHEMBL7276936 0.84 GALR3 (0.57) GALR3MAPTTHRBALDH1A1GAA
SCHEMBL7299404 0.83 GALR3 (0.62) GALR3MAPTTHRBALDH1A1GAA
SCHEMBL7273854 0.82 GALR3 (0.60) GALR3MAPTTHRBALDH1A1GAA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0327800-B1 6-PHENYLDIHYDRO-3(2H)-PYRIDAZINONES, PROCESS FOR THEIR PREPARATION AND MEDICINES CONTAINING THESE COMPOUNDS HEUMANN PHARMA GMBH & CO (DE) 1992-05-27 EP disclosed
US-4954501-A INOTROPIC AGENTS HEUMANN PHARMA GMBH & CO. (DE) 1990-09-04 US disclosed
EP-0327800-A2 6-Phenyldihydro-3(2H)-pyridazinones, process for their preparation and medicines containing these compounds HEUMANN PHARMA GMBH & CO (DE) 1989-08-16 EP disclosed