SCHEMBL9873805

SCHEMBL9873805

CC(=O)N1CCN(c2c(F)c(N)c3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)CC1C

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CACNA1F O60840 1/20 0.69
POLB P06746 1/20 0.69
MAPK1 P28482 1/20 0.69
CACNA1D Q01668 1/20 0.69
KCNH2 Q12809 1/20 0.69
CACNA1S Q13698 1/20 0.69
CACNA1C Q13936 1/20 0.69
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
GSK3B P49841 11/20 0.55
TOP2A P11388 1/20 0.53
TOP2B Q02880 1/20 0.53
KDM4E B2RXH2 6/20 0.50
HPGD P15428 2/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.48
CYP2C19 P33261 1/20 0.46
ATM Q13315 1/20 0.46

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
SCHEMBL10701879 0.89 POLB (0.71) CACNA1FPOLBMAPK1CACNA1DKCNH2
SCHEMBL8201556 0.85 CACNA1F (0.78) CACNA1FPOLBMAPK1CACNA1DKCNH2
SCHEMBL9501954 0.84 KCNH2 (0.58) CACNA1FPOLBMAPK1CACNA1DKCNH2
SCHEMBL8922019 0.84 POLB (0.72) CACNA1FPOLBMAPK1CACNA1DKCNH2
SCHEMBL10684653 0.84 KCNH2 (0.72) CACNA1FPOLBMAPK1CACNA1DKCNH2
SCHEMBL10412149 0.83 CACNA1F (0.71) CACNA1FPOLBMAPK1CACNA1DKCNH2
SCHEMBL10686828 0.83 CACNA1F (0.74) CACNA1FPOLBMAPK1CACNA1DKCNH2
SCHEMBL10108762 0.83 CACNA1F (0.74) CACNA1FPOLBMAPK1CACNA1DKCNH2
SCHEMBL10123852 0.83 CACNA1F (0.74) CACNA1FPOLBMAPK1CACNA1DKCNH2
SCHEMBL12665464 0.83 KCNH2 (0.74) CACNA1FPOLBMAPK1CACNA1DKCNH2

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-0221463-B1 QUINOLINE DERIVATIVES AND PROCESSES FOR PREPARATION THEREOF Dainippon Pharmaceutical Co., Ltd. (JP) 1991-08-14 EP disclosed