SCHEMBL8575693

SCHEMBL8575693

Cc1c(N2C[C@@H](C)[C@@H](N)C2)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 1/20 0.39
KCNH2 Q12809 7/20 0.37
POLB P06746 2/20 0.33
CACNA1F O60840 1/20 0.33
MAPK1 P28482 1/20 0.33
CACNA1D Q01668 1/20 0.33
CACNA1S Q13698 1/20 0.33
CACNA1C Q13936 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PIM1 P11309 1/20 0.33
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
PIM3 Q86V86 1/20 0.33
CSNK1G1 Q9HCP0 1/20 0.33
ALDH1A1 P00352 3/20 0.32
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32

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
SCHEMBL8572099 1.00 SCN5A (0.39) SCN5AKCNH2POLBCACNA1FMAPK1
SCHEMBL8577579 1.00 SCN5A (0.39) SCN5AKCNH2POLBCACNA1FMAPK1
SCHEMBL8572107 1.00 SCN5A (0.39) SCN5AKCNH2POLBCACNA1FMAPK1
SCHEMBL8572102 1.00 SCN5A (0.39) SCN5AKCNH2POLBCACNA1FMAPK1
Hydrochloric Acid SCHEMBL7500649 0.99 SCN5A (0.39) SCN5AKCNH2POLBCACNA1FMAPK1
Hydrochloric Acid SCHEMBL7500357 0.99 SCN5A (0.39) SCN5AKCNH2POLBCACNA1FMAPK1
Hydrochloric Acid SCHEMBL7502658 0.99 SCN5A (0.39) SCN5AKCNH2POLBCACNA1FMAPK1
Hydrochloric Acid SCHEMBL7500362 0.99 SCN5A (0.39) SCN5AKCNH2POLBCACNA1FMAPK1
Hydrochloric Acid SCHEMBL7500643 0.99 SCN5A (0.39) SCN5AKCNH2POLBCACNA1FMAPK1
SCHEMBL6169413 0.94 SCN5A (0.38) SCN5AKCNH2POLBCACNA1FMAPK1

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 5 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
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