SCHEMBL9689869

SCHEMBL9689869

CN(C)CC1CCN(c2c(F)c(O)c3c(=O)c(C(=O)O)cn(C4CC4)c3c2Cl)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.49
ALDH1A1 P00352 3/20 0.49
OPRM1 P35372 2/20 0.49
CHRM2 P08172 1/20 0.49
CHRM1 P11229 1/20 0.49
OPRD1 P41143 1/20 0.49
KCNH2 Q12809 8/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
CACNA1F O60840 1/20 0.45
MAPK1 P28482 1/20 0.45
CACNA1D Q01668 1/20 0.45
CACNA1S Q13698 1/20 0.45
CACNA1C Q13936 1/20 0.45
TOP2A P11388 2/20 0.42
TOP2B Q02880 2/20 0.42
HRH3 Q9Y5N1 1/20 0.41
GSK3B P49841 4/20 0.40
KDM4E B2RXH2 2/20 0.39
HPGD P15428 2/20 0.39

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
SCHEMBL9687756 0.91 KCNH2 (0.56) POLBALDH1A1OPRM1CHRM2CHRM1
SCHEMBL9688801 0.89 KCNH2 (0.55) POLBALDH1A1OPRM1CHRM2CHRM1
SCHEMBL9688699 0.84 KCNH2 (0.57) POLBALDH1A1OPRM1CHRM2CHRM1
SCHEMBL9688214 0.84 POLB (0.69) POLBALDH1A1OPRM1CHRM2CHRM1
SCHEMBL10529357 0.83 ALDH1A1 (0.71) POLBALDH1A1OPRM1CHRM2CHRM1
SCHEMBL9838599 0.81 KCNH2 (0.61) POLBALDH1A1OPRM1CHRM2CHRM1
SCHEMBL8123817 0.80 KCNH2 (0.66) POLBALDH1A1OPRM1CHRM2CHRM1
SCHEMBL9689525 0.80 KCNH2 (0.56) POLBALDH1A1OPRM1CHRM2CHRM1
SCHEMBL9688334 0.79 KCNH2 (0.55) POLBALDH1A1OPRM1CHRM2CHRM1
SCHEMBL9688853 0.79 KCNH2 (0.59) POLBALDH1A1OPRM1KCNH2MEN1

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
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