SCHEMBL9500988

SCHEMBL9500988

CC1CN(c2cc3c(c(N)c2F)c(=O)c(C(=O)O)cn3C2CC2)CCN1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.81
HRH3 Q9Y5N1 1/20 0.81
POLB P06746 2/20 0.61
CACNA1F O60840 1/20 0.61
MAPK1 P28482 1/20 0.61
CACNA1D Q01668 1/20 0.61
CACNA1S Q13698 1/20 0.61
CACNA1C Q13936 1/20 0.61
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
KDM4E B2RXH2 6/20 0.53
ALDH1A1 P00352 6/20 0.53
HPGD P15428 5/20 0.53
HSD17B10 Q99714 5/20 0.53
PRKD3 O94806 1/20 0.53
ALOX15 P16050 1/20 0.53
OPRM1 P35372 1/20 0.53
CLK2 P49760 1/20 0.53
CLK4 Q9HAZ1 1/20 0.53
TDP1 Q9NUW8 1/20 0.53

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
SCHEMBL9501145 0.92 KCNH2 (0.87) KCNH2HRH3POLBCACNA1FMAPK1
SCHEMBL9500959 0.91 KCNH2 (0.71) KCNH2HRH3POLBCACNA1FMAPK1
SCHEMBL9501991 0.91 KCNH2 (0.71) KCNH2HRH3POLBCACNA1FMAPK1
Grepafloxacin SCHEMBL34155 0.90 KCNH2 (1.00) KCNH2HRH3POLBCACNA1FMAPK1
Grepafloxacin SCHEMBL29695614 0.90 KCNH2 (1.00) KCNH2HRH3POLBCACNA1FMAPK1
Grepafloxacin SCHEMBL34156 0.90 KCNH2 (1.00) KCNH2HRH3POLBCACNA1FMAPK1
SCHEMBL10774220 0.90 KCNH2 (0.83) KCNH2HRH3POLBCACNA1FMAPK1
Grepafloxacin SCHEMBL34157 0.90 KCNH2 (1.00) KCNH2HRH3POLBCACNA1FMAPK1
Hydrochloric Acid SCHEMBL9504788 0.90 KCNH2 (0.69) KCNH2HRH3POLBCACNA1FMAPK1
Hydrochloric Acid SCHEMBL9504778 0.90 KCNH2 (0.69) 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-0312085-B1 NOVEL QUINOLINE DERIVATIVES, PROCESSES FOR PREPARATION THEREOF AND ANTIBACTERIAL AGENT CONTAINING THEM Dainippon Pharmaceutical Co., Ltd. (JP) 1993-05-12 EP claimed
US-5164392-A Active against streptococci and staphylococci DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1992-11-17 US claimed
EP-0312085-A2 Novel quinoline derivatives, processes for preparation thereof and antibacterial agent containing them Dainippon Pharmaceutical Co., Ltd. (JP) 1989-04-19 EP claimed
EP-0312085-B1 NOVEL QUINOLINE DERIVATIVES, PROCESSES FOR PREPARATION THEREOF AND ANTIBACTERIAL AGENT CONTAINING THEM Dainippon Pharmaceutical Co., Ltd. (JP) 1993-05-12 EP disclosed
US-5164392-A Active against streptococci and staphylococci DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1992-11-17 US disclosed
US-5013841-A Oxo quinoline derivatives DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1991-05-07 US disclosed
EP-0312085-A2 Novel quinoline derivatives, processes for preparation thereof and antibacterial agent containing them Dainippon Pharmaceutical Co., Ltd. (JP) 1989-04-19 EP disclosed