SCHEMBL8566581

SCHEMBL8566581

COC1CN(c2c(F)cn3c(=O)c(C(=O)O)cc(C4CC4)c3c2C)CC1N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 1/20 0.38
KCNH2 Q12809 7/20 0.36
DPP4 P27487 2/20 0.32
ALDH1A1 P00352 3/20 0.31
POLB P06746 2/20 0.31
OPRM1 P35372 2/20 0.31
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
OPRD1 P41143 1/20 0.31
TOP1 P11387 2/20 0.31
KDM4E B2RXH2 2/20 0.31
HPGD P15428 2/20 0.31
HSD17B10 Q99714 2/20 0.31
PRKD3 O94806 1/20 0.31
ALOX15 P16050 1/20 0.31
CLK2 P49760 1/20 0.31
CLK4 Q9HAZ1 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
Hydrochloric Acid SCHEMBL7505370 0.99 SCN5A (0.37) SCN5AKCNH2DPP4ALDH1A1POLB
SCHEMBL8628058 0.89 SCN5A (0.36) SCN5AKCNH2ALDH1A1POLBOPRM1
SCHEMBL8572099 0.88 SCN5A (0.39) SCN5AKCNH2DPP4ALDH1A1POLB
SCHEMBL8575693 0.88 SCN5A (0.39) SCN5AKCNH2DPP4ALDH1A1POLB
SCHEMBL8572107 0.88 SCN5A (0.39) SCN5AKCNH2DPP4ALDH1A1POLB
SCHEMBL8572102 0.88 SCN5A (0.39) SCN5AKCNH2DPP4ALDH1A1POLB
SCHEMBL8577579 0.88 SCN5A (0.39) SCN5AKCNH2DPP4ALDH1A1POLB
SCHEMBL8570480 0.88 SCN5A (0.39) SCN5AKCNH2DPP4ALDH1A1POLB
SCHEMBL8565386 0.88 SCN5A (0.41) SCN5AKCNH2ALDH1A1POLBOPRM1
SCHEMBL7502028 0.88 KCNH2 (0.32) SCN5AKCNH2DPP4

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