SCHEMBL9687720

SCHEMBL9687720

Nc1c(F)c(N2CCC(N)C2)c(O)c2c1c(=O)c(C(=O)O)cn2C1CC1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.61
KCNH2 Q12809 2/20 0.61
CACNA1F O60840 1/20 0.61
MAPK1 P28482 1/20 0.61
CACNA1D Q01668 1/20 0.61
CACNA1S Q13698 1/20 0.61
CACNA1C Q13936 1/20 0.61
ALDH1A1 P00352 1/20 0.59
CHRM2 P08172 1/20 0.59
CHRM1 P11229 1/20 0.59
OPRM1 P35372 1/20 0.59
OPRD1 P41143 1/20 0.59
GSK3B P49841 14/20 0.53
TOP2A P11388 1/20 0.51
TOP2B Q02880 1/20 0.51
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50

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
SCHEMBL8922019 0.92 POLB (0.72) POLBKCNH2CACNA1FMAPK1CACNA1D
SCHEMBL9022992 0.90 KCNH2 (0.64) POLBKCNH2CACNA1FMAPK1CACNA1D
Hydrochloric Acid SCHEMBL9368352 0.90 POLB (0.69) POLBKCNH2CACNA1FMAPK1CACNA1D
SCHEMBL9022766 0.90 KCNH2 (0.64) POLBKCNH2CACNA1FMAPK1CACNA1D
SCHEMBL9688787 0.89 POLB (0.60) POLBKCNH2CACNA1FMAPK1CACNA1D
Hydrochloric Acid SCHEMBL9023576 0.89 KCNH2 (0.63) POLBKCNH2CACNA1FMAPK1CACNA1D
SCHEMBL9089266 0.89 POLB (0.58) POLBKCNH2CACNA1FMAPK1CACNA1D
SCHEMBL9368503 0.89 POLB (0.69) POLBKCNH2CACNA1FMAPK1CACNA1D
SCHEMBL9687667 0.88 KCNH2 (0.58) POLBKCNH2CACNA1FMAPK1CACNA1D
SCHEMBL9372691 0.87 KCNH2 (0.60) POLBKCNH2CACNA1FMAPK1CACNA1D

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
EP-0265230-B1 SUBSTITUTED-6-FLUORO-4-OXO-1,4-DIHYDROQUINOLINE-3-CARBOXYLIC ACIDS, DERIVATIVES THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUNDS, AND PROCESSES FOR PRODUCING THE COMPOUNDS WARNER-LAMBERT COMPANY (US) 1992-01-08 EP claimed
EP-0265230-A1 Substituted-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acids, derivatives thereof, pharmaceutical compositions comprising the compounds, and processes for producing the compounds WARNER-LAMBERT COMPANY (US) 1988-04-27 EP claimed
US-5097032-A Quinoline- and naphthyridine carboxylic acids, salts WARNER-LAMBERT COMPANY (US) 1992-03-17 US disclosed
EP-0265230-B1 SUBSTITUTED-6-FLUORO-4-OXO-1,4-DIHYDROQUINOLINE-3-CARBOXYLIC ACIDS, DERIVATIVES THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUNDS, AND PROCESSES FOR PRODUCING THE COMPOUNDS WARNER-LAMBERT COMPANY (US) 1992-01-08 EP disclosed
US-4822801-A 4-oxo-1,4-dihydroquinoline-3-carboxylic acid derivative as antibacterial agents WARNER-LAMBERT COMPANY (US) 1989-04-18 US disclosed
EP-0265230-A1 Substituted-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acids, derivatives thereof, pharmaceutical compositions comprising the compounds, and processes for producing the compounds WARNER-LAMBERT COMPANY (US) 1988-04-27 EP disclosed