SCHEMBL8201525

SCHEMBL8201525

CC(C)C1C=CC(N)C2CN(c3c(F)c(N)c4c(=O)c(OC(=O)O)cn5c4c3OCN5C)CC12

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CACNA1F O60840 1/20 0.35
POLB P06746 1/20 0.35
MAPK1 P28482 1/20 0.35
CACNA1D Q01668 1/20 0.35
KCNH2 Q12809 1/20 0.35
CACNA1S Q13698 1/20 0.35
CACNA1C Q13936 1/20 0.35
KDM4E B2RXH2 1/20 0.35
GSK3B P49841 4/20 0.33

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
SCHEMBL8204059 0.90 CACNA1F (0.36) CACNA1FPOLBMAPK1CACNA1DKCNH2
SCHEMBL8201864 0.86 KDM4E (0.35) CACNA1FPOLBMAPK1CACNA1DKCNH2
SCHEMBL8201672 0.83 KDM4E (0.35) CACNA1FPOLBMAPK1CACNA1DKCNH2
SCHEMBL9232358 0.82 KDM4E (0.40) CACNA1FPOLBMAPK1CACNA1DKCNH2
SCHEMBL9234627 0.82 CACNA1F (0.51) CACNA1FPOLBMAPK1CACNA1DKCNH2
SCHEMBL9235745 0.81 KDM4E (0.46) CACNA1FPOLBMAPK1CACNA1DKCNH2
SCHEMBL8193819 0.81 KDM4E (0.35) CACNA1FPOLBMAPK1CACNA1DKCNH2
SCHEMBL9233837 0.80 KDM4E (0.54) CACNA1FPOLBMAPK1CACNA1DKCNH2
SCHEMBL8131657 0.80 CACNA1F (0.35) CACNA1FPOLBMAPK1CACNA1DKCNH2
SCHEMBL9228918 0.80 KDM4E (0.40) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0682030-B1 8-Amino-10(azabicycloalkyl)-pyrido[1,2,3-d,e] [1,3,4] benzoxadiazine derivatives, process for their preparation and antibacterial agents containing them BAYER AG (DE) 2000-07-05 EP disclosed
EP-0682030-A1 8-Amino-10(azabicycloalkyl)-pyrido[1,2,3-d,e] [1,3,4] benzoxadiazine derivatives, process for their preparation and antibacterial agents containing them BAYER AG (DE) 1995-11-15 EP disclosed