SCHEMBL9687728

SCHEMBL9687728

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.48
ALDH1A1 P00352 1/20 0.48
CHRM2 P08172 1/20 0.48
CHRM1 P11229 1/20 0.48
OPRM1 P35372 1/20 0.48
OPRD1 P41143 1/20 0.48
KCNH2 Q12809 4/20 0.45
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
GSK3B P49841 10/20 0.38
TOP2A P11388 3/20 0.37
TOP2B Q02880 1/20 0.37
TOP1 P11387 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PIM1 P11309 1/20 0.35
GSK3A P49840 1/20 0.35

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
SCHEMBL10443389 0.93 KCNH2 (0.53) POLBALDH1A1CHRM2CHRM1OPRM1
SCHEMBL9372414 0.93 KCNH2 (0.53) POLBALDH1A1CHRM2CHRM1OPRM1
SCHEMBL9023245 0.91 POLB (0.48) POLBALDH1A1CHRM2CHRM1OPRM1
SCHEMBL9688775 0.88 POLB (0.46) POLBALDH1A1CHRM2CHRM1OPRM1
SCHEMBL9211257 0.87 POLB (0.45) POLBALDH1A1CHRM2CHRM1OPRM1
SCHEMBL9687720 0.86 POLB (0.61) POLBALDH1A1CHRM2CHRM1OPRM1
SCHEMBL9689407 0.85 KCNH2 (0.43) POLBALDH1A1CHRM2CHRM1OPRM1
SCHEMBL9689898 0.85 KCNH2 (0.43) POLBALDH1A1CHRM2CHRM1OPRM1
SCHEMBL9687742 0.85 KCNH2 (0.42) POLBALDH1A1CHRM2CHRM1OPRM1
SCHEMBL10509377 0.85 MEN1 (0.51) POLBALDH1A1CHRM2CHRM1OPRM1

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 1 patent. 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