SCHEMBL9688633

SCHEMBL9688633

CCOC(=O)c1cn(C2CC2)c2c(Cl)c(F)c(F)c(N)c2c1=O

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CACNA1F O60840 1/20 0.49
POLB P06746 1/20 0.49
MAPK1 P28482 1/20 0.49
CACNA1D Q01668 1/20 0.49
KCNH2 Q12809 1/20 0.49
CACNA1S Q13698 1/20 0.49
CACNA1C Q13936 1/20 0.49
TOP2A P11388 1/20 0.48
TOP2B Q02880 1/20 0.48
GSK3B P49841 14/20 0.48
ADRB2 P07550 1/20 0.47
STAT3 P40763 1/20 0.46

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
SCHEMBL5704363 0.92 GSK3B (0.51) CACNA1FPOLBMAPK1CACNA1DKCNH2
SCHEMBL9133982 0.91 ADRB2 (0.50) CACNA1FPOLBMAPK1CACNA1DKCNH2
SCHEMBL15929884 0.91 TOP2A (0.48) CACNA1FPOLBMAPK1CACNA1DKCNH2
SCHEMBL1344898 0.90 STAT3 (0.54) CACNA1FPOLBMAPK1CACNA1DKCNH2
SCHEMBL6880793 0.89 GSK3B (0.50) CACNA1FPOLBMAPK1CACNA1DKCNH2
SCHEMBL8116592 0.89 ADRB2 (0.49) CACNA1FPOLBMAPK1CACNA1DKCNH2
SCHEMBL7577114 0.87 ADRB2 (0.47) CACNA1FPOLBMAPK1CACNA1DKCNH2
SCHEMBL1344612 0.86 GSK3B (0.49) CACNA1FPOLBMAPK1CACNA1DKCNH2
SCHEMBL9585893 0.86 STAT3 (0.54) CACNA1FPOLBMAPK1CACNA1DKCNH2
SCHEMBL9688340 0.84 ADRB2 (0.45) CACNA1FPOLBMAPK1CACNA1DKCNH2

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
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
EP-0226961-B1 5-AMINO AND 5-HYDROXY-6,8-DIFLUOROQUINOLONES AS ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 1991-06-12 EP disclosed
US-4977154-A 7-PIPERAZINE DERIVATIVES WARNER-LAMBERT COMPANY (US) 1990-12-11 US 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
EP-0226961-A1 5-Amino and 5-hydroxy-6,8-difluoroquinolones as antibacterial agents WARNER-LAMBERT COMPANY (US) 1987-07-01 EP disclosed