SCHEMBL8570200

SCHEMBL8570200

Cc1c(N2CCCC(CO)C2)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 1/20 0.39
PTGER4 P35408 2/20 0.39
KCNH2 Q12809 5/20 0.38
PTPN1 P18031 1/20 0.36
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 3/20 0.36
HPGD P15428 2/20 0.33
HSD17B10 Q99714 2/20 0.33
PMP22 Q01453 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
SCHEMBL8571552 0.94 SCN5A (0.42) SCN5AKCNH2
SCHEMBL8566096 0.94 SCN5A (0.42) SCN5AKCNH2
Hydrochloric Acid SCHEMBL8574033 0.94 SCN5A (0.42) SCN5AKCNH2KDM4EALDH1A1HPGD
Hydrochloric Acid SCHEMBL8561605 0.94 SCN5A (0.42) SCN5AKCNH2KDM4EALDH1A1HPGD
SCHEMBL8567585 0.92 KCNH2 (0.43) SCN5AKCNH2KDM4EALDH1A1
SCHEMBL8563854 0.92 SCN5A (0.38) SCN5AKCNH2KDM4EALDH1A1HPGD
Hydrochloric Acid SCHEMBL7494375 0.91 KCNH2 (0.42) SCN5AKCNH2KDM4EALDH1A1
SCHEMBL8566850 0.88 ALDH1A1 (0.46) SCN5AKCNH2KDM4EALDH1A1HPGD
SCHEMBL8562588 0.88 ALDH1A1 (0.46) SCN5AKCNH2KDM4EALDH1A1HPGD
SCHEMBL14515902 0.88 SCN5A (0.40) SCN5AKCNH2KDM4EALDH1A1HPGD

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 6 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
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