SCHEMBL7513396

SCHEMBL7513396

C=CCC(Oc1ccc(OC2CCCCO2)cc1)c1ccc(C#N)cc1.Oc1ccc(OC2CCCCO2)cc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 4/20 0.38
GRIN2B Q13224 4/20 0.38
PTPN1 P18031 1/20 0.36
HRH3 Q9Y5N1 8/20 0.34
SLC6A4 P31645 1/20 0.33
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CA12 O43570 1/20 0.30
CA2 P00918 1/20 0.30
CA3 P07451 1/20 0.30
CA6 P23280 1/20 0.30
CA9 Q16790 1/20 0.30
CA14 Q9ULX7 1/20 0.30

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
SCHEMBL5965502 0.95 HRH3 (0.37) GRIN1GRIN2BHRH3SLC6A4MEN1
SCHEMBL7556966 0.89 HRH3 (0.36) GRIN1GRIN2BHRH3SLC6A4MEN1
SCHEMBL5965706 0.81 HRH3 (0.40) GRIN1GRIN2BHRH3SLC6A4MEN1
SCHEMBL7093343 0.80 HRH3 (0.41) GRIN1GRIN2BHRH3SLC6A4MEN1
SCHEMBL3143065 0.77 HRH3 (0.52) HRH3MEN1KMT2A
SCHEMBL6987525 0.76 HRH3 (0.37) GRIN1GRIN2BHRH3SLC6A4MEN1
SCHEMBL5965411 0.73 HRH3 (0.40) HRH3SLC6A4MEN1KMT2A
SCHEMBL21400657 0.73 APP (0.44) PTPN1HRH3MEN1KMT2A
SCHEMBL15093959 0.73 MEN1 (0.43) PTPN1MEN1KMT2ACA12CA2
SCHEMBL15093765 0.73 MEN1 (0.43) PTPN1MEN1KMT2ACA12CA2

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-1192155-A1 NEW BISPIDINE COMPOUNDS USEFUL IN THE TREATMENT OF CARDIAC ARRHYTHMIAS AstraZeneca AB (SE) 2002-04-03 EP disclosed
WO-2000076997-A1 NEW BISPIDINE COMPOUNDS USEFUL IN THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2000-12-21 WO disclosed