SCHEMBL7508971

SCHEMBL7508971

Cc1c(N2CCCC(C)(N)C2)c(F)cn2c(=O)c(OC(=O)O)cc(C3CC3)c12

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 1/20 0.34
KCNH2 Q12809 3/20 0.33
DPP4 P27487 4/20 0.32
CYP3A4 P08684 3/20 0.32
CYP2D6 P10635 2/20 0.31

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
SCHEMBL7502794 0.95 SCN5A (0.37) SCN5AKCNH2
SCHEMBL8575938 0.87 SCN5A (0.42) SCN5AKCNH2DPP4CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL7499392 0.86 SCN5A (0.42) SCN5AKCNH2DPP4CYP3A4CYP2D6
SCHEMBL7497788 0.83 KCNH2 (0.35) SCN5AKCNH2DPP4
SCHEMBL7498238 0.83 KCNH2 (0.35) SCN5AKCNH2DPP4
SCHEMBL7507090 0.83 SCN5A (0.52) SCN5AKCNH2CYP3A4
SCHEMBL7507361 0.83 KCNH2 (0.35) SCN5AKCNH2
SCHEMBL7506511 0.82 KCNH2 (0.34) SCN5AKCNH2CYP3A4
SCHEMBL7507186 0.82 KDM4E (0.37) SCN5AKCNH2
SCHEMBL7502899 0.81 ALDH1A1 (0.40) SCN5AKCNH2

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-0723545-B1 QUINOLIZINONE TYPE COMPOUNDS ABBOTT LAB (US) 2002-05-08 EP claimed