SCHEMBL6987525

SCHEMBL6987525

N#Cc1ccc(C(CCCCS(=O)(=O)O)Oc2ccc(OC3CCCCO3)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.37
SLC6A4 P31645 1/20 0.37
MEN1 O00255 3/20 0.34
KMT2A Q03164 2/20 0.34
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 0.32
LNPEP Q9UIQ6 1/20 0.31
ACP1 P24666 1/20 0.31
TRPC6 Q9Y210 1/20 0.31
ACACB O00763 1/20 0.30
HSD11B1 P28845 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
SCHEMBL5965706 0.87 HRH3 (0.40) HRH3SLC6A4MEN1KMT2AGRIN1
SCHEMBL5965411 0.85 HRH3 (0.40) HRH3SLC6A4MEN1KMT2ALNPEP
SCHEMBL7093343 0.83 HRH3 (0.41) HRH3SLC6A4MEN1KMT2AGRIN1
SCHEMBL7556966 0.80 HRH3 (0.36) HRH3SLC6A4MEN1KMT2AGRIN1
SCHEMBL6977224 0.79 HRH3 (0.40) HRH3SLC6A4MEN1KMT2AGRIN1
SCHEMBL5965958 0.79 HRH3 (0.37) HRH3SLC6A4MEN1KMT2ALNPEP
SCHEMBL5965502 0.78 HRH3 (0.37) HRH3SLC6A4MEN1KMT2AGRIN1
SCHEMBL7250411 0.77 SLC6A4 (0.43) HRH3SLC6A4MEN1KMT2AGRIN1
SCHEMBL7513396 0.76 GRIN1 (0.38) HRH3SLC6A4MEN1KMT2AGRIN1
SCHEMBL5965701 0.76 GPR119 (0.42) HRH3SLC6A4MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1192155-B1 NEW BISPIDINE COMPOUNDS USEFUL IN THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2003-04-02 EP disclosed