SCHEMBL8569090

SCHEMBL8569090

CNC1CCN(c2c(F)cn3c(=O)c(C(=O)O)cc(C4CC4)c3c2C)C1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 7/20 0.42
SCN5A Q14524 1/20 0.42
TOP1 P11387 2/20 0.42
PIM3 Q86V86 2/20 0.39
PIM1 P11309 1/20 0.39
ALDH1A1 P00352 2/20 0.35
POLB P06746 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
DYRK3 O43781 1/20 0.34
SRPK1 Q96SB4 1/20 0.34
CSNK1G1 Q9HCP0 1/20 0.34
LMNA P02545 2/20 0.34
BTK Q06187 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 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
SCHEMBL8569098 1.00 KCNH2 (0.42) KCNH2SCN5ATOP1PIM3PIM1
Hydrochloric Acid SCHEMBL7502027 0.99 KCNH2 (0.42) KCNH2SCN5ATOP1PIM3PIM1
Hydrochloric Acid SCHEMBL7502024 0.99 KCNH2 (0.42) KCNH2SCN5ATOP1PIM3PIM1
SCHEMBL14497283 0.92 SCN5A (0.43) KCNH2SCN5ATOP1PIM3ALDH1A1
SCHEMBL8564024 0.92 SCN5A (0.42) KCNH2SCN5ATOP1PIM3ALDH1A1
Hydrochloric Acid SCHEMBL8576586 0.91 SCN5A (0.41) KCNH2SCN5ATOP1PIM3ALDH1A1
SCHEMBL8561869 0.91 DYRK3 (0.44) KCNH2SCN5ATOP1PIM3DYRK3
SCHEMBL7499390 0.89 SCN5A (0.45) KCNH2SCN5APIM3PIM1ALDH1A1
SCHEMBL8564116 0.88 SCN5A (0.40) KCNH2SCN5ATOP1PIM3DYRK3
SCHEMBL8565936 0.88 SCN5A (0.40) KCNH2SCN5ATOP1PIM3DYRK3

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
US-7229996-B2 Rifamycin derivatives CUMBRE PHARMACEUTICALS INC. (US) 2007-06-12 US disclosed
US-7229996-B2 Rifamycin derivatives CUMBRE PHARMACEUTICALS INC. (US) 2007-06-12 US 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