SCHEMBL6603854

SCHEMBL6603854

CCCC(=O)N1CCN(CC(Oc2ccc3c(SC)ncnc3c2)N2CCN(C(=O)CCC)CC2)CC1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.39
LMNA P02545 1/20 0.39
HRH2 P25021 1/20 0.38
HRH1 P35367 1/20 0.38
PDE3B Q13370 3/20 0.37
PDE3A Q14432 3/20 0.37
HRH3 Q9Y5N1 3/20 0.35
MAPT P10636 2/20 0.35
HTT P42858 1/20 0.35
PDGFRB P09619 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CCR5 P51681 1/20 0.34
LRRK2 Q5S007 1/20 0.34
MTNR1B P49286 3/20 0.33
AURKA O14965 1/20 0.33
MTNR1A P48039 1/20 0.32

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
SCHEMBL4493140 0.83 HRH2 (0.48) SMN1; SMN2LMNAHRH2HRH1PDE3B
SCHEMBL4517534 0.75 PDE3B (0.43) SMN1; SMN2LMNAPDE3BPDE3AMAPT
SCHEMBL4494851 0.74 ALDH1A1 (0.52) SMN1; SMN2LMNAMAPTMEN1KMT2A
SCHEMBL4500426 0.72 DRD3 (0.55) HRH3AURKA
SCHEMBL4426235 0.63 BRAF (0.46) HRH3AURKA
SCHEMBL4424613 0.62 AURKA (0.55) LMNAHRH3HTTAURKA
SCHEMBL4497789 0.61 KDM1A (0.38) SMN1; SMN2MAPTAURKA
SCHEMBL4420328 0.60 AURKA (0.41) AURKA
SCHEMBL4420331 0.60 AURKA (0.41) AURKA
SCHEMBL4507585 0.60 TSHR (0.53) HRH3AURKA

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-1458394-A1 USE OF OXINDOLE DERIVATIVES IN THE TREATMENT OF DEMENTIA RELATED DISEASES, ALZHEIMER S DISEASE AND CONDITIONS ASSOCIATED WITH GLYCOGEN SYNTHASE KINASE-3 AstraZeneca AB (SE) 2004-09-22 EP disclosed
WO-2003055492-A1 USE OF OXINDOLE DERIVATIVES IN THE TREATMENT OF DEMENTIA RELATED DISEASES, ALZHEIMER'S DISEASE AND CONDITIONS ASSOCIATED WITH GLYCOGEN SYNTHASE KINASE-3 ASTRAZENECA AB (SE) 2003-07-10 WO disclosed