SCHEMBL13767405

SCHEMBL13767405

Bc1csc(CNC2CCN(CCn3c(=O)ccc4ncccc43)CC2)c1

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 17/20 0.46
KCNQ1 P51787 1/20 0.39
CACNA1C Q13936 1/20 0.39

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
SCHEMBL3963244 0.90 KCNH2 (0.46) KCNH2KCNQ1CACNA1C
SCHEMBL3963252 0.83 KCNH2 (0.46) KCNH2KCNQ1CACNA1C
SCHEMBL3964408 0.83 KCNH2 (0.47) KCNH2KCNQ1CACNA1C
SCHEMBL3962526 0.82 KCNH2 (0.45) KCNH2KCNQ1CACNA1C
SCHEMBL3959368 0.81 KCNH2 (0.46) KCNH2KCNQ1CACNA1C
SCHEMBL3962074 0.80 KCNH2 (0.56) KCNH2
SCHEMBL10313923 0.79 KCNH2 (0.70) KCNH2
SCHEMBL12047114 0.79 KCNH2 (0.46) KCNH2
SCHEMBL3961591 0.79 KCNH2 (0.57) KCNH2
SCHEMBL12047121 0.79 KCNH2 (0.46) KCNH2KCNQ1CACNA1C

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-2080761-A1 Compounds GLAXO GROUP LIMITED (GB) 2009-07-22 EP disclosed