SCHEMBL8330618

SCHEMBL8330618

C[C@H]([C@H]1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2C(F)(F)F)C1)N(C)C(=O)OC(C)(C)C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 7/20 0.58
ALDH1A1 P00352 5/20 0.49
POLB P06746 2/20 0.49
OPRM1 P35372 2/20 0.49
CHRM2 P08172 1/20 0.49
CHRM1 P11229 1/20 0.49
OPRD1 P41143 1/20 0.49
KDM4E B2RXH2 8/20 0.48
HPGD P15428 5/20 0.48
HSD17B10 Q99714 3/20 0.48
PRKD3 O94806 1/20 0.48
ALOX15 P16050 1/20 0.48
CLK2 P49760 1/20 0.48
CLK4 Q9HAZ1 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.44
LMNA P02545 3/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CYP2C19 P33261 1/20 0.41

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
SCHEMBL8324637 1.00 KCNH2 (0.58) KCNH2ALDH1A1POLBOPRM1CHRM2
SCHEMBL9153452 1.00 KCNH2 (0.58) KCNH2ALDH1A1POLBOPRM1CHRM2
SCHEMBL8331487 1.00 KCNH2 (0.58) KCNH2ALDH1A1POLBOPRM1CHRM2
SCHEMBL8330588 1.00 KCNH2 (0.58) KCNH2ALDH1A1POLBOPRM1CHRM2
SCHEMBL8923173 0.90 ALDH1A1 (0.62) KCNH2ALDH1A1POLBOPRM1CHRM2
SCHEMBL8924861 0.90 ALDH1A1 (0.62) KCNH2ALDH1A1POLBOPRM1CHRM2
SCHEMBL8328908 0.90 KCNH2 (0.65) KCNH2ALDH1A1POLBOPRM1CHRM2
SCHEMBL8329484 0.90 KCNH2 (0.65) KCNH2ALDH1A1POLBOPRM1CHRM2
SCHEMBL8330209 0.90 KCNH2 (0.73) KCNH2ALDH1A1POLBOPRM1CHRM2
SCHEMBL9462423 0.90 KCNH2 (0.73) KCNH2ALDH1A1POLBOPRM1CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0909759-A2 Individual stereoisomers of 7-(3-aminoalkyl)-1-pyrrolidinyl)-quinolones as antibacterial agents WARNER-LAMBERT COMPANY (US) 1999-04-21 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-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