SCHEMBL8569369

SCHEMBL8569369

CNC(C)(C)[C@@H]1CCN(c2c(F)c(N)c3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.64
KCNH2 Q12809 2/20 0.64
CACNA1F O60840 1/20 0.64
MAPK1 P28482 1/20 0.64
CACNA1D Q01668 1/20 0.64
CACNA1S Q13698 1/20 0.64
CACNA1C Q13936 1/20 0.64
GSK3B P49841 15/20 0.56
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
TOP2A P11388 1/20 0.51
TOP2B Q02880 1/20 0.51
ALDH1A1 P00352 1/20 0.45
CHRM2 P08172 1/20 0.45
CHRM1 P11229 1/20 0.45
OPRM1 P35372 1/20 0.45
OPRD1 P41143 1/20 0.45

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
SCHEMBL8569362 1.00 POLB (0.64) POLBKCNH2CACNA1FMAPK1CACNA1D
SCHEMBL8566949 1.00 POLB (0.64) POLBKCNH2CACNA1FMAPK1CACNA1D
SCHEMBL8571477 0.92 KCNH2 (0.54) POLBKCNH2CACNA1FMAPK1CACNA1D
SCHEMBL8566705 0.92 KCNH2 (0.54) POLBKCNH2CACNA1FMAPK1CACNA1D
SCHEMBL8562459 0.92 KCNH2 (0.54) POLBKCNH2CACNA1FMAPK1CACNA1D
SCHEMBL8567010 0.91 POLB (0.68) POLBKCNH2CACNA1FMAPK1CACNA1D
SCHEMBL8566530 0.91 POLB (0.68) POLBKCNH2CACNA1FMAPK1CACNA1D
SCHEMBL8566535 0.91 POLB (0.68) POLBKCNH2CACNA1FMAPK1CACNA1D
SCHEMBL8566954 0.87 KCNH2 (0.48) POLBKCNH2CACNA1FMAPK1CACNA1D
SCHEMBL8571203 0.87 KCNH2 (0.48) 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0559752-B1 OPTICAL ISOMERS OF 7- 3-(1,1-DIALKYLMETHYL-1-AMINO-1-PYRROLIDINYL]-QUINOLONES AND NAPHTHYRIDONES AS ANTIBACTERIAL AGENTS WARNER LAMBERT CO (US) 1998-01-28 EP claimed
US-5364861-A Bactericides with side effect reduction WARNER-LAMBERT COMPANY (US) 1994-11-15 US claimed
EP-0559752-A1 OPTICAL ISOMERS OF 7- 3-(1,1-DIALKYLMETHYL-1-AMINO-1-PYRROLIDINYL]-QUINOLONES AND NAPHTHYRIDONES AS ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 1993-09-15 EP claimed
WO-1992009597-A1 OPTICAL ISOMERS OF 7-[3-(1,1-DIALKYLMETHYL-1-AMINO-1-PYRROLIDINYL]-QUINOLONES AND NAPHTHYRIDONES AS ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 1992-06-11 WO claimed
EP-0559752-B1 OPTICAL ISOMERS OF 7- 3-(1,1-DIALKYLMETHYL-1-AMINO-1-PYRROLIDINYL]-QUINOLONES AND NAPHTHYRIDONES AS ANTIBACTERIAL AGENTS WARNER LAMBERT CO (US) 1998-01-28 EP disclosed
US-5364861-A Bactericides with side effect reduction WARNER-LAMBERT COMPANY (US) 1994-11-15 US disclosed
US-5278317-A Aminomethylpyrrole WARNER-LAMBERT COMPANY (US) 1994-01-11 US disclosed
EP-0559752-A1 OPTICAL ISOMERS OF 7- 3-(1,1-DIALKYLMETHYL-1-AMINO-1-PYRROLIDINYL]-QUINOLONES AND NAPHTHYRIDONES AS ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 1993-09-15 EP disclosed
US-5157128-A Antibacterial agents WARNER-LAMBERT COMPANY (US) 1992-10-20 US disclosed
WO-1992009597-A1 OPTICAL ISOMERS OF 7-[3-(1,1-DIALKYLMETHYL-1-AMINO-1-PYRROLIDINYL]-QUINOLONES AND NAPHTHYRIDONES AS ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 1992-06-11 WO disclosed
US-5072001-A Bactericides WARNER-LAMBERT COMPANY (US) 1991-12-10 US disclosed