SCHEMBL8577656

SCHEMBL8577656

CCNC[C@@H]1CCN(c2c(F)cn3c(=O)c(C(=O)O)cc(C4CC4)c3c2C)C1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.40
SCN5A Q14524 1/20 0.40
TOP1 P11387 3/20 0.34
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
HSD17B10 Q99714 2/20 0.33
PMP22 Q01453 1/20 0.33
FFAR4 Q5NUL3 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
SCHEMBL8574325 1.00 KCNH2 (0.40) KCNH2SCN5ATOP1KDM4EALDH1A1
Hydrochloric Acid SCHEMBL7503660 0.99 KCNH2 (0.40) KCNH2SCN5ATOP1KDM4EALDH1A1
Hydrochloric Acid SCHEMBL7495496 0.99 KCNH2 (0.40) KCNH2SCN5ATOP1KDM4EALDH1A1
SCHEMBL8570709 0.95 KCNH2 (0.38) KCNH2SCN5AKDM4EFFAR4
Hydrochloric Acid SCHEMBL7502911 0.94 KCNH2 (0.37) KCNH2SCN5AKDM4EALDH1A1HPGD
SCHEMBL8574368 0.92 SCN5A (0.40) KCNH2SCN5ATOP1FFAR4
SCHEMBL8574291 0.92 SCN5A (0.41) KCNH2SCN5ATOP1
SCHEMBL8574285 0.92 SCN5A (0.41) KCNH2SCN5ATOP1
Hydrochloric Acid SCHEMBL8572865 0.91 SCN5A (0.39) KCNH2SCN5ATOP1KDM4EALDH1A1
Hydrochloric Acid SCHEMBL7497986 0.91 SCN5A (0.40) KCNH2SCN5ATOP1KDM4EALDH1A1

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