SCHEMBL9825253

SCHEMBL9825253

CCOc1ccc(C(=O)N2CCN(c3ccc4c(c3)CC(=O)N4)CC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.60
KCNH2 Q12809 2/20 0.56
NR3C1 P04150 1/20 0.56
PGR P06401 1/20 0.56
SLC6A4 P31645 1/20 0.56
PDE3B Q13370 1/20 0.56
PDE3A Q14432 1/20 0.56
ALDH1A1 P00352 2/20 0.54
HSD17B10 Q99714 1/20 0.54
GAA P10253 6/20 0.52
KDM4E B2RXH2 3/20 0.52
HPGD P15428 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
KMT2A Q03164 3/20 0.49
PKM P14618 2/20 0.49
LMNA P02545 2/20 0.49
MEN1 O00255 1/20 0.49
TSHR P16473 1/20 0.49
HTT P42858 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49

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
SCHEMBL8496700 0.91 KCNH2 (0.68) MAPTKCNH2NR3C1PGRSLC6A4
SCHEMBL10675409 0.85 NR3C1 (0.59) MAPTKCNH2NR3C1PGRSLC6A4
SCHEMBL9824736 0.82 MAPT (0.57) MAPTKCNH2NR3C1PGRSLC6A4
SCHEMBL9824612 0.80 PDE3B (0.83) MAPTKCNH2NR3C1PGRSLC6A4
SCHEMBL7267767 0.80 SLC6A4 (0.72) KCNH2NR3C1PGRSLC6A4PDE3B
SCHEMBL11202820 0.79 NR3C1 (0.78) MAPTKCNH2NR3C1PGRSLC6A4
SCHEMBL2718633 0.78 GAA (0.67) MAPTKCNH2NR3C1PGRSLC6A4
Water SCHEMBL11200345 0.78 NR3C1 (0.76) MAPTKCNH2NR3C1PGRSLC6A4
Water SCHEMBL11200349 0.78 NR3C1 (0.76) MAPTKCNH2NR3C1PGRSLC6A4
SCHEMBL11196576 0.78 KCNH2 (0.69) KCNH2NR3C1PGRSLC6A4PDE3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0168003-B1 OXINDOL COMPOUNDS, COMPOSITIONS CONTAINING SAME AND PROCESSES FOR PREPARING SAME OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-04-03 EP claimed
US-4737501-A Substituted piperazinyl oxindol compounds and cardiotonic compositions containing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1988-04-12 US claimed
EP-0168003-A1 Oxindol compounds, compositions containing same and processes for preparing same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-01-15 EP claimed
EP-0168003-B1 OXINDOL COMPOUNDS, COMPOSITIONS CONTAINING SAME AND PROCESSES FOR PREPARING SAME OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-04-03 EP disclosed
US-4737501-A Substituted piperazinyl oxindol compounds and cardiotonic compositions containing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1988-04-12 US disclosed
EP-0168003-A1 Oxindol compounds, compositions containing same and processes for preparing same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-01-15 EP disclosed