SCHEMBL9212277

SCHEMBL9212277

CC(C)(C)OC(=O)NCC12CN(c3c(F)c(N)c4c(=O)c(OC(=O)O)cn(C5CC5)c4c3F)CC1CCO2

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CACNA1F O60840 1/20 0.40
POLB P06746 1/20 0.40
MAPK1 P28482 1/20 0.40
CACNA1D Q01668 1/20 0.40
KCNH2 Q12809 1/20 0.40
CACNA1S Q13698 1/20 0.40
CACNA1C Q13936 1/20 0.40
GSK3B P49841 16/20 0.35
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TOP2A P11388 1/20 0.32
TOP2B Q02880 1/20 0.32

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
SCHEMBL7494472 0.94 GSK3B (0.36) CACNA1FPOLBMAPK1CACNA1DKCNH2
SCHEMBL9207351 0.94 MEN1 (0.39) CACNA1FPOLBMAPK1CACNA1DKCNH2
SCHEMBL8924239 0.90 CACNA1F (0.52) CACNA1FPOLBMAPK1CACNA1DKCNH2
SCHEMBL9228860 0.90 MEN1 (0.32) CACNA1FPOLBMAPK1CACNA1DKCNH2
SCHEMBL7494369 0.87 KCNH2 (0.37) POLBKCNH2MEN1KMT2ATOP2A
SCHEMBL7501610 0.87 KCNH2 (0.37) POLBKCNH2MEN1KMT2ATOP2A
SCHEMBL7496654 0.87 KCNH2 (0.37) POLBKCNH2MEN1KMT2ATOP2A
Hydrochloric Acid SCHEMBL9214724 0.86 KCNH2 (0.45) CACNA1FPOLBMAPK1CACNA1DKCNH2
SCHEMBL7494469 0.85 GSK3B (0.46) CACNA1FPOLBMAPK1CACNA1DKCNH2
SCHEMBL9214867 0.84 ALDH1A1 (0.42) POLBKCNH2MEN1KMT2A

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-0589318-B1 Antibacterial 7-(aminomethyl-oxa-7-azabicyclo(3.3.0)oct-7-yl)quinolone- and -naphthyridonecarboxylic acid derivatives BAYER AG (DE) 1995-11-15 EP disclosed
EP-0589318-A2 Antibacterial 7-(aminomethyl-oxa-7-azabicyclo(3.3.0)oct-7-yl)quinolone- and -naphthyridonecarboxylic acid derivatives BAYER AG (DE) 1994-03-30 EP disclosed