SCHEMBL8570568

SCHEMBL8570568

Cc1c(N2C[C@@H](N)[C@H](C(F)(F)F)C2)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 1/20 0.38
KCNH2 Q12809 5/20 0.36
POLB P06746 2/20 0.31
ALDH1A1 P00352 2/20 0.31
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
OPRM1 P35372 1/20 0.31
OPRD1 P41143 1/20 0.31
DPP4 P27487 1/20 0.31
DPP8 Q6V1X1 1/20 0.31
DPP9 Q86TI2 1/20 0.31
DPP7 Q9UHL4 1/20 0.31
NOTUM Q6P988 1/20 0.31
CACNA1F O60840 1/20 0.30
MAPK1 P28482 1/20 0.30
CACNA1D Q01668 1/20 0.30
CACNA1S Q13698 1/20 0.30
CACNA1C Q13936 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL8570557 1.00 SCN5A (0.38) SCN5AKCNH2POLBALDH1A1CHRM2
SCHEMBL8570562 1.00 SCN5A (0.38) SCN5AKCNH2POLBALDH1A1CHRM2
Hydrochloric Acid SCHEMBL7501189 0.99 SCN5A (0.38) SCN5AKCNH2POLBALDH1A1CHRM2
Hydrochloric Acid SCHEMBL7501184 0.99 SCN5A (0.38) SCN5AKCNH2POLBALDH1A1CHRM2
Hydrochloric Acid SCHEMBL7502749 0.99 SCN5A (0.38) SCN5AKCNH2POLBALDH1A1CHRM2
SCHEMBL8570480 0.89 SCN5A (0.39) SCN5AKCNH2POLBALDH1A1CHRM2
SCHEMBL8577579 0.89 SCN5A (0.39) SCN5AKCNH2POLBALDH1A1CHRM2
SCHEMBL8572099 0.89 SCN5A (0.39) SCN5AKCNH2POLBALDH1A1CHRM2
SCHEMBL8572102 0.89 SCN5A (0.39) SCN5AKCNH2POLBALDH1A1CHRM2
SCHEMBL8575693 0.89 SCN5A (0.39) SCN5AKCNH2POLBALDH1A1CHRM2

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