SCHEMBL13760545

SCHEMBL13760545

O=c1n(CC(F)(F)CO[SH](=O)=O)nc2n1CCC2

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 3/20 0.34
▸ SCN5A Q14524 3/20 0.34

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
SCHEMBL3524695 0.81 KCNH2 (0.35) KCNH2SCN5A
SCHEMBL3602001 0.80 KCNH2 (0.33) KCNH2SCN5A
SCHEMBL3523236 0.79 KCNH2 (0.35) KCNH2SCN5A
SCHEMBL4298007 0.72 DHODH (0.32) KCNH2SCN5A
SCHEMBL14372289 0.69 KCNH2 (0.36) KCNH2SCN5A
SCHEMBL9377590 0.66 KCNH2 (0.39) KCNH2SCN5A
SCHEMBL3521622 0.65 KCNH2 (0.77) KCNH2SCN5A
SCHEMBL14372255 0.64 POLB (0.38) —
SCHEMBL30813206 0.63 MMP2 (0.32) —
SCHEMBL3524929 0.63 KCNH2 (0.42) KCNH2SCN5A

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
WO-2009101917-A1 BICYCLOAMINE DERIVATIVE EISAI R & D MANAGEMENT CO., LTD. (JP) 2009-08-20 — — WO disclosed
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