SCHEMBL8566096

SCHEMBL8566096

Cc1c(N2CC[C@H](CO)C2)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 1/20 0.42
KCNH2 Q12809 6/20 0.40
TOP1 P11387 3/20 0.35
SYK P43405 1/20 0.35

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
SCHEMBL8571552 1.00 SCN5A (0.42) SCN5AKCNH2TOP1SYK
Hydrochloric Acid SCHEMBL8561605 0.99 SCN5A (0.42) SCN5AKCNH2TOP1SYK
Hydrochloric Acid SCHEMBL8574033 0.99 SCN5A (0.42) SCN5AKCNH2TOP1SYK
SCHEMBL8570200 0.94 SCN5A (0.39) SCN5AKCNH2
SCHEMBL8563854 0.93 SCN5A (0.38) SCN5AKCNH2
SCHEMBL5278078 0.92 KCNH2 (0.48) SCN5AKCNH2TOP1
SCHEMBL5567931 0.92 KCNH2 (0.48) SCN5AKCNH2TOP1
SCHEMBL5570863 0.92 KCNH2 (0.48) SCN5AKCNH2TOP1
Hydrochloric Acid SCHEMBL7507134 0.91 KCNH2 (0.47) SCN5AKCNH2TOP1
SCHEMBL8574285 0.90 SCN5A (0.41) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5599816-A BACTERICIDE ABBOTT LABORATORIES (US) 1997-02-04 US claimed
WO-1996039407-A1 QUINOLIZINONE TYPE COMPOUNDS ABBOTT LABORATORIES (US) 1996-12-12 WO claimed
EP-0871628-A1 QUINOLIZINONE TYPE COMPOUNDS Abbott Laboratories (US) 1998-10-21 EP disclosed
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