SCHEMBL9824736

SCHEMBL9824736

CCOC(=O)N1CCN(c2ccc3c(c2)CC(=O)N3)CC1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.57
MAPK1 P28482 1/20 0.57
HTT P42858 1/20 0.57
GAA P10253 10/20 0.55
LMNA P02545 4/20 0.55
KDM4E B2RXH2 1/20 0.55
PDE3B Q13370 2/20 0.53
PDE3A Q14432 2/20 0.53
ALDH1A1 P00352 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
NR3C1 P04150 1/20 0.49
PGR P06401 1/20 0.49
SLC6A4 P31645 1/20 0.49
KCNH2 Q12809 1/20 0.49
PDK2 Q15119 1/20 0.49
KMT2A Q03164 1/20 0.48

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
SCHEMBL11202004 0.89 PDE3B (0.61) MAPTMAPK1HTTGAALMNA
SCHEMBL26547684 0.84 GAA (0.67) GAAPDE3BPDE3ANR3C1PGR
SCHEMBL9825253 0.82 MAPT (0.60) MAPTMAPK1HTTGAALMNA
SCHEMBL10675409 0.80 NR3C1 (0.59) MAPTHTTGAALMNAPDE3B
SCHEMBL5843584 0.80 GAA (0.74) MAPTHTTGAALMNAALDH1A1
SCHEMBL3290755 0.79 KDM4E (0.55) MAPTHTTGAALMNAKDM4E
SCHEMBL9096425 0.76 GAA (0.55) GAAPDE3BPDE3ASMN1; SMN2KMT2A
SCHEMBL11193021 0.76 SLC6A4 (0.54) MAPTMAPK1HTTLMNAKDM4E
SCHEMBL9824612 0.76 PDE3B (0.83) MAPTMAPK1HTTGAALMNA
SCHEMBL9098720 0.75 GAA (0.57) GAAPDE3BPDE3ASMN1; SMN2KMT2A

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