SCHEMBL8601235

SCHEMBL8601235

Cc1c(N2CCC(N)CC2)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 1/20 0.42
KCNH2 Q12809 3/20 0.41
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
PIM3 Q86V86 2/20 0.36
RPS6KB1 P23443 1/20 0.36
MATK P42679 1/20 0.36
DYRK1A Q13627 1/20 0.36
MAPKAPK3 Q16644 1/20 0.36
AURKB Q96GD4 1/20 0.36
LMNA P02545 1/20 0.36
PIM1 P11309 1/20 0.35
GSK3A P49840 1/20 0.35
GSK3B P49841 1/20 0.35
CSNK1G1 Q9HCP0 1/20 0.35
TOP2A P11388 7/20 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
Hydrochloric Acid SCHEMBL7553048 0.99 SCN5A (0.42) SCN5AKCNH2ALDH1A1POLBCHRM2
Abt-719 SCHEMBL1290190 0.94 ALDH1A1 (0.46) SCN5AKCNH2ALDH1A1POLBCHRM2
Abt-719 SCHEMBL8569278 0.94 ALDH1A1 (0.46) SCN5AKCNH2ALDH1A1POLBCHRM2
Abt-719 SCHEMBL1290350 0.94 ALDH1A1 (0.46) SCN5AKCNH2ALDH1A1POLBCHRM2
Abt-719 SCHEMBL7496841 0.93 ALDH1A1 (0.45) SCN5AKCNH2ALDH1A1POLBCHRM2
Abt-719 SCHEMBL7496844 0.93 ALDH1A1 (0.45) SCN5AKCNH2ALDH1A1POLBCHRM2
Abt-719 SCHEMBL7507152 0.93 ALDH1A1 (0.45) SCN5AKCNH2ALDH1A1POLBCHRM2
SCHEMBL7499390 0.91 SCN5A (0.45) SCN5AKCNH2ALDH1A1POLBCHRM2
SCHEMBL8565386 0.91 SCN5A (0.41) SCN5AKCNH2ALDH1A1POLBCHRM2
SCHEMBL14515902 0.91 SCN5A (0.40) SCN5AKCNH2ALDH1A1POLBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0871628-A1 QUINOLIZINONE TYPE COMPOUNDS Abbott Laboratories (US) 1998-10-21 EP claimed
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
CN-1053188-C Quinolizinone type compounds ABBOTT LAB (US) 2000-06-07 CN disclosed
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
CN-1137273-A Quinolizinone type compounds ABBOTT LAB (US) 1996-12-04 CN disclosed