SCHEMBL8925399

SCHEMBL8925399

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.57
HRH3 Q9Y5N1 1/20 0.56
POLB P06746 2/20 0.51
CACNA1F O60840 1/20 0.51
MAPK1 P28482 1/20 0.51
CACNA1D Q01668 1/20 0.51
CACNA1S Q13698 1/20 0.51
CACNA1C Q13936 1/20 0.51
GSK3B P49841 4/20 0.50
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 3/20 0.47
LMNA P02545 2/20 0.47
HPGD P15428 2/20 0.47
HSD17B10 Q99714 2/20 0.47
MAPT P10636 1/20 0.47
TOP2A P11388 2/20 0.46
TOP2B Q02880 2/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
CYP1A2 P05177 1/20 0.44

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
SCHEMBL8925391 1.00 KCNH2 (0.57) KCNH2HRH3POLBCACNA1FMAPK1
SCHEMBL8925462 1.00 KCNH2 (0.57) KCNH2HRH3POLBCACNA1FMAPK1
SCHEMBL8925631 0.91 KCNH2 (0.55) KCNH2HRH3POLBCACNA1FMAPK1
SCHEMBL8925798 0.91 KCNH2 (0.55) KCNH2HRH3POLBCACNA1FMAPK1
SCHEMBL8925315 0.91 KCNH2 (0.55) KCNH2HRH3POLBCACNA1FMAPK1
SCHEMBL8925311 0.91 KCNH2 (0.55) KCNH2HRH3POLBCACNA1FMAPK1
SCHEMBL8923208 0.91 KCNH2 (0.69) KCNH2HRH3POLBCACNA1FMAPK1
SCHEMBL8923211 0.91 KCNH2 (0.69) KCNH2HRH3POLBCACNA1FMAPK1
SCHEMBL8925880 0.91 KCNH2 (0.69) KCNH2HRH3POLBCACNA1FMAPK1
SCHEMBL8923572 0.90 KCNH2 (0.54) KCNH2HRH3POLBCACNA1FMAPK1

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
EP-0559774-A1 INDIVIDUAL STEREOISOMERS OF 7- 3-(1-AMINOALKYL)-1-PYRROLIDINYL]-QUINOLONES AND NAPHTHYRIDONES AS ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 1993-09-15 EP claimed
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 claimed
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
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