SCHEMBL6971668

SCHEMBL6971668

Nc1c(F)c(N2CC3NCCOC3C2)c(F)c2c1c(=O)c(C(=O)O)cn2[C@@H]1C[C@@H]1F

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.54
CACNA1F O60840 1/20 0.54
POLB P06746 1/20 0.54
MAPK1 P28482 1/20 0.54
CACNA1D Q01668 1/20 0.54
CACNA1S Q13698 1/20 0.54
CACNA1C Q13936 1/20 0.54
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
GSK3B P49841 13/20 0.41
TOP2A P11388 1/20 0.39
TOP2B Q02880 1/20 0.39
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CYP3A4 P08684 1/20 0.35
HRH3 Q9Y5N1 1/20 0.34

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
SCHEMBL6971683 1.00 KCNH2 (0.54) KCNH2CACNA1FPOLBMAPK1CACNA1D
SCHEMBL6971662 1.00 KCNH2 (0.54) KCNH2CACNA1FPOLBMAPK1CACNA1D
SCHEMBL6982476 1.00 KCNH2 (0.54) KCNH2CACNA1FPOLBMAPK1CACNA1D
SCHEMBL6982464 1.00 KCNH2 (0.54) KCNH2CACNA1FPOLBMAPK1CACNA1D
SCHEMBL8982768 0.90 KCNH2 (0.67) KCNH2CACNA1FPOLBMAPK1CACNA1D
SCHEMBL8982886 0.90 KCNH2 (0.67) KCNH2CACNA1FPOLBMAPK1CACNA1D
SCHEMBL8982963 0.90 KCNH2 (0.67) KCNH2CACNA1FPOLBMAPK1CACNA1D
SCHEMBL6983293 0.88 CACNA1F (0.40) KCNH2CACNA1FPOLBMAPK1CACNA1D
SCHEMBL6983582 0.88 CACNA1F (0.40) KCNH2CACNA1FPOLBMAPK1CACNA1D
SCHEMBL9054253 0.86 CACNA1F (0.65) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0603887-B1 Bicyclic amine derivatives DAIICHI SEIYAKU CO (JP) 2003-10-01 EP claimed
EP-0603887-A2 Bicyclic amine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1994-06-29 EP claimed
EP-0603887-B1 Bicyclic amine derivatives DAIICHI SEIYAKU CO (JP) 2003-10-01 EP disclosed
US-5654318-A 1-HALOCYCLOPROPYL-3-CARBOXY-4-OXO-7-(2,8-DIAZOBICYCLO(4.3.0)-NON-8-YL)QUINOLINES; POTENT MICROBIOCIDES; NONTOXIC; REDUCED LIPOPHILICITY DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1997-08-05 US disclosed
EP-0603887-A2 Bicyclic amine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1994-06-29 EP disclosed