SCHEMBL8568909

SCHEMBL8568909

CNC(C)(C)[C@@H]1CCN(c2cc3c(c(N)c2F)c(=O)c(C(=O)O)cn3C2CC2)C1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.54
HRH3 Q9Y5N1 1/20 0.54
POLB P06746 2/20 0.49
CACNA1F O60840 1/20 0.49
MAPK1 P28482 1/20 0.49
CACNA1D Q01668 1/20 0.49
CACNA1S Q13698 1/20 0.49
CACNA1C Q13936 1/20 0.49
GSK3B P49841 9/20 0.48
TOP2A P11388 2/20 0.44
TOP2B Q02880 2/20 0.44
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 3/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
LMNA P02545 2/20 0.43
HPGD P15428 2/20 0.43
HSD17B10 Q99714 2/20 0.43
MAPT P10636 1/20 0.43
CYP1A2 P05177 1/20 0.42

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
SCHEMBL8568906 1.00 KCNH2 (0.54) KCNH2HRH3POLBCACNA1FMAPK1
SCHEMBL8573733 0.90 KCNH2 (0.56) KCNH2HRH3POLBCACNA1FMAPK1
SCHEMBL8566245 0.90 KCNH2 (0.56) KCNH2HRH3POLBCACNA1FMAPK1
SCHEMBL8563927 0.89 KCNH2 (0.50) KCNH2HRH3POLBCACNA1FMAPK1
SCHEMBL8563936 0.89 KCNH2 (0.50) KCNH2HRH3POLBCACNA1FMAPK1
SCHEMBL8571826 0.87 KCNH2 (0.41) KCNH2HRH3POLBCACNA1FMAPK1
SCHEMBL9422758 0.87 KCNH2 (0.49) KCNH2HRH3POLBCACNA1FMAPK1
SCHEMBL9422761 0.87 KCNH2 (0.49) KCNH2HRH3POLBCACNA1FMAPK1
SCHEMBL8566949 0.84 POLB (0.64) KCNH2POLBCACNA1FMAPK1CACNA1D
SCHEMBL8569369 0.84 POLB (0.64) 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 10 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