SCHEMBL9503656

SCHEMBL9503656

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

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.62
HRH3 Q9Y5N1 1/20 0.62
POLB P06746 2/20 0.45
CACNA1F O60840 1/20 0.45
MAPK1 P28482 1/20 0.45
CACNA1D Q01668 1/20 0.45
CACNA1S Q13698 1/20 0.45
CACNA1C Q13936 1/20 0.45
KDM4E B2RXH2 6/20 0.45
ALDH1A1 P00352 6/20 0.45
HPGD P15428 5/20 0.45
HSD17B10 Q99714 5/20 0.45
PRKD3 O94806 1/20 0.45
ALOX15 P16050 1/20 0.45
OPRM1 P35372 1/20 0.45
CLK2 P49760 1/20 0.45
CLK4 Q9HAZ1 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
LMNA P02545 2/20 0.41
TOP2A P11388 2/20 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
SCHEMBL9502081 0.93 KCNH2 (0.66) KCNH2HRH3POLBCACNA1FMAPK1
SCHEMBL9500961 0.91 KCNH2 (0.52) KCNH2HRH3POLBCACNA1FMAPK1
SCHEMBL1858180 0.90 KCNH2 (0.76) KCNH2HRH3POLBCACNA1FMAPK1
SCHEMBL9501385 0.88 KDM4E (0.53) KCNH2HRH3POLBCACNA1FMAPK1
SCHEMBL9500988 0.86 KCNH2 (0.81) KCNH2HRH3POLBCACNA1FMAPK1
SCHEMBL10685971 0.85 KCNH2 (0.43) KCNH2HRH3POLBCACNA1FMAPK1
SCHEMBL9502044 0.84 KCNH2 (0.52) KCNH2HRH3POLBCACNA1FMAPK1
SCHEMBL9875522 0.84 KCNH2 (0.60) KCNH2HRH3POLBCACNA1FMAPK1
SCHEMBL8566250 0.83 KCNH2 (0.42) KCNH2HRH3POLBCACNA1FMAPK1
SCHEMBL10808537 0.83 KDM4E (0.59) KCNH2HRH3POLBKDM4EALDH1A1

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 1 patent. 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