SCHEMBL14965196

SCHEMBL14965196

CC(C)c1csc2nc(N3CCC(COCCN4CCCC4)CC3)ncc12.O=C1CCCN1c1sc2nc(N3CCC(COCCN4CCCC4)CC3)ncc2c1-c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.33
HTR1D P28221 1/20 0.33
HTR1B P28222 1/20 0.33

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
SCHEMBL14965131 0.91 HTR1A (0.37) HTR1AHTR1DHTR1B
SCHEMBL14964891 0.82 KDM4E (0.35)
SCHEMBL14964951 0.77
SCHEMBL14964982 0.77 HRH3 (0.40)
SCHEMBL14965244 0.76 HTR1A (0.38) HTR1AHTR1DHTR1B
SCHEMBL14965589 0.75
SCHEMBL27978487 0.75 PTPN11 (0.33)
SCHEMBL14965345 0.74 HTR2A (0.36) HTR1AHTR1DHTR1B
SCHEMBL14965489 0.74 KCNQ3 (0.34)
SCHEMBL14964887 0.74

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-2780343-A1 THIENO- AND FURO - PYRIMIDINES AND PYRIDINES, USEFUL AS POTASSIUM CHANNEL INHIBITORS Xention Limited (GB) 2014-09-24 EP disclosed
WO-2013072694-A1 THIENO- AND FURO - PYRIMIDINES AND PYRIDINES, USEFUL AS POTASSIUM CHANNEL INHIBITORS XENTION LIMITED (GB) 2013-05-23 WO disclosed