SCHEMBL8567918

SCHEMBL8567918

CCCC(N)C1CCN(c2c(F)cn3c(=O)c(C(=O)O)cc(C4CC4)c3c2C)C1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 8/20 0.49
SCN5A Q14524 1/20 0.41
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 2/20 0.33
HPGD P15428 2/20 0.33
HSD17B10 Q99714 2/20 0.33
POLB P06746 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
PMP22 Q01453 1/20 0.33
SLC2A1 P11166 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
SCHEMBL8576032 1.00 KCNH2 (0.49) KCNH2SCN5AALDH1A1KDM4EHPGD
SCHEMBL8576029 1.00 KCNH2 (0.49) KCNH2SCN5AALDH1A1KDM4EHPGD
Hydrochloric Acid SCHEMBL7495052 0.99 KCNH2 (0.48) KCNH2SCN5AALDH1A1KDM4EHPGD
Hydrochloric Acid SCHEMBL7495060 0.99 KCNH2 (0.48) KCNH2SCN5AALDH1A1KDM4EHPGD
Hydrochloric Acid SCHEMBL7495045 0.99 KCNH2 (0.48) KCNH2SCN5AALDH1A1KDM4EHPGD
SCHEMBL8574272 0.93 KCNH2 (0.49) KCNH2SCN5AALDH1A1KDM4EHPGD
SCHEMBL8574282 0.93 KCNH2 (0.49) KCNH2SCN5AALDH1A1KDM4EHPGD
SCHEMBL8574276 0.93 KCNH2 (0.49) KCNH2SCN5AALDH1A1KDM4EHPGD
Hydrochloric Acid SCHEMBL7504223 0.92 KCNH2 (0.48) KCNH2SCN5AALDH1A1KDM4EHPGD
Hydrochloric Acid SCHEMBL7504231 0.92 KCNH2 (0.48) KCNH2SCN5AALDH1A1KDM4EHPGD

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