SCHEMBL8326013

SCHEMBL8326013

COc1c(N2CCC(C(C)N(C)C)C2)c(F)c(N)c2c(=O)c(C(=O)O)cn(C3CC3)c12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 7/20 0.61
POLB P06746 2/20 0.55
CACNA1F O60840 1/20 0.55
MAPK1 P28482 1/20 0.55
CACNA1D Q01668 1/20 0.55
CACNA1S Q13698 1/20 0.55
CACNA1C Q13936 1/20 0.55
GSK3B P49841 7/20 0.52
KDM4E B2RXH2 3/20 0.48
ALDH1A1 P00352 2/20 0.48
HPGD P15428 2/20 0.48
PRKD3 O94806 1/20 0.48
ALOX15 P16050 1/20 0.48
OPRM1 P35372 1/20 0.48
CLK2 P49760 1/20 0.48
HSD17B10 Q99714 1/20 0.48
CLK4 Q9HAZ1 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
TOP2A P11388 1/20 0.46
TOP2B Q02880 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
SCHEMBL8326015 1.00 KCNH2 (0.61) KCNH2POLBCACNA1FMAPK1CACNA1D
SCHEMBL8331579 1.00 KCNH2 (0.61) KCNH2POLBCACNA1FMAPK1CACNA1D
SCHEMBL8324629 0.92 KCNH2 (0.72) KCNH2POLBCACNA1FMAPK1CACNA1D
SCHEMBL8331341 0.92 KCNH2 (0.72) KCNH2POLBCACNA1FMAPK1CACNA1D
SCHEMBL8332205 0.92 KCNH2 (0.72) KCNH2POLBCACNA1FMAPK1CACNA1D
SCHEMBL9538054 0.92 KCNH2 (0.65) KCNH2POLBCACNA1FMAPK1CACNA1D
SCHEMBL8925341 0.92 KCNH2 (0.65) KCNH2POLBCACNA1FMAPK1CACNA1D
SCHEMBL8923938 0.92 KCNH2 (0.65) KCNH2POLBCACNA1FMAPK1CACNA1D
SCHEMBL8923940 0.92 KCNH2 (0.65) KCNH2POLBCACNA1FMAPK1CACNA1D
SCHEMBL8925430 0.92 KCNH2 (0.65) KCNH2POLBCACNA1FMAPK1CACNA1D

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0559774-B1 INDIVIDUAL STEREOISOMERS OF 7- 3-(1-AMINOALKYL)-1-PYRROLIDINYL]-QUINOLONES AND NAPHTHYRIDONES AS ANTIBACTERIAL AGENTS WARNER LAMBERT CO (US) 1999-07-07 EP claimed
EP-0559774-B1 INDIVIDUAL STEREOISOMERS OF 7- 3-(1-AMINOALKYL)-1-PYRROLIDINYL]-QUINOLONES AND NAPHTHYRIDONES AS ANTIBACTERIAL AGENTS WARNER LAMBERT CO (US) 1999-07-07 EP disclosed
US-5633264-A Individual stereoisomers of 7-[3-(1-aminoalkyl)-1-pyrrolidinyl]-Quinolones and naphthyridones as antibacterial agents WARNER-LAMBERT COMPANY (US) 1997-05-27 US disclosed
US-5563155-A QUINOLONE ANTIBIOTICS WITH INCREASED EFFICACY, REDUCED SIDE EFFECTS WARNER-LAMBERT COMPANY (US) 1996-10-08 US disclosed
US-5461165-A Individual stereoisomers of intermediates of 7-[3-(1-aminoalkyl)-1-pyrrolidinyl]-quinolones and naphthyridones as antibacterial agents WARNER-LAMBERT COMPANY (US) 1995-10-24 US disclosed
US-5344940-A Bactericides WARNER-LAMBERT COMPANY (US) 1994-09-06 US disclosed
US-5258528-A Bactericides WARNER-LAMBERT COMPANY (US) 1993-11-02 US disclosed
WO-1992009596-A1 INDIVIDUAL STEREOISOMERS OF 7-[3-(1-AMINOALKYL)-1-PYRROLIDINYL]-QUINOLONES AND NAPHTHYRIDONES AS ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 1992-06-11 WO disclosed