SCHEMBL8565903

SCHEMBL8565903

Cc1c(N2CCC(N)(CF)C2)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 1/20 0.44
KCNH2 Q12809 10/20 0.41
NOTUM Q6P988 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30
CHRM2 P08172 1/20 0.30
CHRM1 P11229 1/20 0.30
OPRM1 P35372 1/20 0.30
OPRD1 P41143 1/20 0.30

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 SCHEMBL8573819 0.99 SCN5A (0.44) SCN5AKCNH2NOTUMKDM4EALDH1A1
SCHEMBL8570477 0.89 SCN5A (0.45) SCN5AKCNH2NOTUMKDM4EALDH1A1
Hydrochloric Acid SCHEMBL7496978 0.88 SCN5A (0.45) SCN5AKCNH2NOTUMKDM4EALDH1A1
SCHEMBL7927938 0.88 SCN5A (0.44) SCN5AKCNH2ALDH1A1POLBCHRM2
SCHEMBL8563910 0.87 SCN5A (0.44) SCN5AKCNH2ALDH1A1POLBCHRM2
SCHEMBL8565044 0.87 KCNH2 (0.44) SCN5AKCNH2KDM4EALDH1A1POLB
Hydrochloric Acid SCHEMBL8575968 0.86 SCN5A (0.43) SCN5AKCNH2
SCHEMBL8575938 0.86 SCN5A (0.42) SCN5AKCNH2KDM4EALDH1A1
SCHEMBL8893288 0.86 SCN5A (0.42) SCN5AKCNH2KDM4EALDH1A1POLB
Hydrochloric Acid SCHEMBL9055075 0.85 SCN5A (0.43) SCN5AKCNH2NOTUMKDM4EALDH1A1

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 7 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
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