SCHEMBL8575664

SCHEMBL8575664

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

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 1/20 0.44
KCNH2 Q12809 8/20 0.42
ALDH1A1 P00352 2/20 0.35
POLB P06746 2/20 0.35
OPRM1 P35372 2/20 0.35
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
OPRD1 P41143 1/20 0.35
TOP1 P11387 2/20 0.33
KDM4E B2RXH2 1/20 0.33
PRKD3 O94806 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
CLK2 P49760 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL8569539 1.00 SCN5A (0.44) SCN5AKCNH2ALDH1A1POLBOPRM1
SCHEMBL8565377 1.00 SCN5A (0.44) SCN5AKCNH2ALDH1A1POLBOPRM1
Hydrochloric Acid SCHEMBL8569538 0.99 SCN5A (0.43) SCN5AKCNH2ALDH1A1POLBOPRM1
Hydrochloric Acid SCHEMBL8577938 0.99 SCN5A (0.43) SCN5AKCNH2ALDH1A1POLBOPRM1
Hydrochloric Acid SCHEMBL8575905 0.99 SCN5A (0.43) SCN5AKCNH2ALDH1A1POLBOPRM1
SCHEMBL7499390 0.89 SCN5A (0.45) SCN5AKCNH2ALDH1A1POLBOPRM1
SCHEMBL5284548 0.89 KCNH2 (0.37) SCN5AKCNH2ALDH1A1KDM4EHPGD
SCHEMBL5284554 0.89 KCNH2 (0.37) SCN5AKCNH2ALDH1A1KDM4EHPGD
Abt-719 SCHEMBL8569278 0.89 ALDH1A1 (0.46) SCN5AKCNH2ALDH1A1POLBOPRM1
Abt-719 SCHEMBL1290350 0.89 ALDH1A1 (0.46) SCN5AKCNH2ALDH1A1POLBOPRM1

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