SCHEMBL9080703

SCHEMBL9080703

CCn1cc(C(=O)O)c(=O)c2c(N)c(F)c(N3CC(N)C4(CC4)C3)c(F)c21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1F O60840 1/20 0.48
POLB P06746 1/20 0.48
MAPK1 P28482 1/20 0.48
CACNA1D Q01668 1/20 0.48
KCNH2 Q12809 1/20 0.48
CACNA1S Q13698 1/20 0.48
CACNA1C Q13936 1/20 0.48
FOXO1 Q12778 1/20 0.45
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
HSD17B10 Q99714 2/20 0.42
PMP22 Q01453 1/20 0.42
GSK3B P49841 10/20 0.39
SLC2A1 P11166 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TOP2A P11388 1/20 0.37
TOP2B Q02880 1/20 0.37
DRD3 P35462 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
SCHEMBL9080377 0.93 POLB (0.43) CACNA1FPOLBMAPK1CACNA1DKCNH2
SCHEMBL9079571 0.91 KCNH2 (0.47) CACNA1FPOLBMAPK1CACNA1DKCNH2
SCHEMBL9079484 0.85 CACNA1F (0.67) CACNA1FPOLBMAPK1CACNA1DKCNH2
SCHEMBL9078295 0.84 CACNA1F (0.47) CACNA1FPOLBMAPK1CACNA1DKCNH2
SCHEMBL13483620 0.83 CACNA1F (0.53) CACNA1FPOLBMAPK1CACNA1DKCNH2
SCHEMBL9078399 0.83 KDM4E (0.62) POLBKCNH2KDM4EALDH1A1HPGD
SCHEMBL9080205 0.83 KDM4E (0.41) CACNA1FPOLBMAPK1CACNA1DKCNH2
SCHEMBL10683743 0.82 POLB (0.52) CACNA1FPOLBMAPK1CACNA1DKCNH2
Hydrochloric Acid SCHEMBL9688844 0.81 POLB (0.52) CACNA1FPOLBMAPK1CACNA1DKCNH2
Olamufloxacin SCHEMBL1851976 0.81 KCNH2 (0.59) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5508428-A Spiro compound DAIICHI PHAMACEUTICAL CO., LTD. (JP) 1996-04-16 US disclosed
US-5286723-A Spiro compound DAIICHI SEIYAKU CO., LTD. 1994-02-15 US disclosed
EP-0357047-B1 Spiro compounds DAIICHI SEIYAKU CO (JP) 1993-11-03 EP disclosed
EP-0529688-A2 Azaspiro n,m alkanes and diazaspiro n,m -alkanes DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1993-03-03 EP disclosed
EP-0357047-A1 Spiro compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1990-03-07 EP disclosed