SCHEMBL9537753

SCHEMBL9537753

CCN[C@@H](C)C1CCN(c2c(F)c(N)c3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.62
CACNA1F O60840 1/20 0.62
POLB P06746 1/20 0.62
MAPK1 P28482 1/20 0.62
CACNA1D Q01668 1/20 0.62
CACNA1S Q13698 1/20 0.62
CACNA1C Q13936 1/20 0.62
GSK3B P49841 13/20 0.59
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
TOP2A P11388 1/20 0.50
TOP2B Q02880 1/20 0.50

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
SCHEMBL8925383 1.00 KCNH2 (0.62) KCNH2CACNA1FPOLBMAPK1CACNA1D
SCHEMBL8923311 1.00 KCNH2 (0.62) KCNH2CACNA1FPOLBMAPK1CACNA1D
SCHEMBL8925530 1.00 KCNH2 (0.62) KCNH2CACNA1FPOLBMAPK1CACNA1D
SCHEMBL8923306 1.00 KCNH2 (0.62) KCNH2CACNA1FPOLBMAPK1CACNA1D
SCHEMBL8328724 0.92 KCNH2 (0.58) KCNH2CACNA1FPOLBMAPK1CACNA1D
SCHEMBL8329380 0.92 KCNH2 (0.58) KCNH2CACNA1FPOLBMAPK1CACNA1D
SCHEMBL8327524 0.92 KCNH2 (0.58) KCNH2CACNA1FPOLBMAPK1CACNA1D
SCHEMBL8327522 0.92 KCNH2 (0.58) KCNH2CACNA1FPOLBMAPK1CACNA1D
SCHEMBL8923965 0.91 KCNH2 (0.64) KCNH2CACNA1FPOLBMAPK1CACNA1D
SCHEMBL8924298 0.91 KCNH2 (0.64) KCNH2CACNA1FPOLBMAPK1CACNA1D

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-0559774-A1 INDIVIDUAL STEREOISOMERS OF 7- 3-(1-AMINOALKYL)-1-PYRROLIDINYL]-QUINOLONES AND NAPHTHYRIDONES AS ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 1993-09-15 EP claimed