SCHEMBL8574285

SCHEMBL8574285

CNCC1CCN(c2c(F)cn3c(=O)c(C(=O)O)cc(C4CC4)c3c2C)C1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 1/20 0.41
KCNH2 Q12809 5/20 0.39
TOP1 P11387 5/20 0.34
LPL P06858 1/20 0.34
LIPG Q9Y5X9 1/20 0.34
SCN9A Q15858 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
SCHEMBL8574291 1.00 SCN5A (0.41) SCN5AKCNH2TOP1LPLLIPG
Hydrochloric Acid SCHEMBL7497986 0.99 SCN5A (0.40) SCN5AKCNH2TOP1LPLLIPG
Hydrochloric Acid SCHEMBL7497989 0.99 SCN5A (0.40) SCN5AKCNH2TOP1LPLLIPG
Hydrochloric Acid SCHEMBL9076010 0.94 SCN5A (0.38) SCN5AKCNH2SCN9A
SCHEMBL8574325 0.92 KCNH2 (0.40) SCN5AKCNH2TOP1
SCHEMBL8577656 0.92 KCNH2 (0.40) SCN5AKCNH2TOP1
Hydrochloric Acid SCHEMBL7495496 0.91 KCNH2 (0.40) SCN5AKCNH2TOP1
Hydrochloric Acid SCHEMBL7503660 0.91 KCNH2 (0.40) SCN5AKCNH2TOP1
SCHEMBL8574368 0.91 SCN5A (0.40) SCN5AKCNH2TOP1
Hydrochloric Acid SCHEMBL8572865 0.91 SCN5A (0.39) SCN5AKCNH2TOP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5726182-A TREATMENT OF BACTERIAL INFECTIONS ABBOTT LABORATORIES (US) 1998-03-10 US disclosed
US-5599816-A BACTERICIDE ABBOTT LABORATORIES (US) 1997-02-04 US disclosed
WO-1996039407-A1 QUINOLIZINONE TYPE COMPOUNDS ABBOTT LABORATORIES (US) 1996-12-12 WO disclosed