SCHEMBL6843345

SCHEMBL6843345

c1cc(N2CCOCC2)nc(N2CCOCC2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.59
HTT P42858 1/20 0.55
POLB P06746 1/20 0.53
MAPT P10636 3/20 0.50
PIK3CA P42336 2/20 0.50
TSHR P16473 1/20 0.50
MAPK1 P28482 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
HSD17B10 Q99714 1/20 0.50
PIK3CD O00329 1/20 0.50
LMNA P02545 1/20 0.50
KDM4E B2RXH2 3/20 0.49
ALDH1A1 P00352 1/20 0.49
HPGD P15428 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
SMPD3 Q9NY59 1/20 0.47
KMT2A Q03164 2/20 0.47
CXCR4 P61073 1/20 0.47
PRKDC P78527 1/20 0.46
MEN1 O00255 1/20 0.46

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
SCHEMBL22334883 0.92 GAA (0.53) GAAHTTPOLBMAPTPIK3CA
SCHEMBL31651590 0.89 HTR3E (0.62) GAAHTTPOLBPIK3CAMAPK1
SCHEMBL1515187 0.86 GAA (0.51) GAAHTTPOLBMAPTPIK3CA
SCHEMBL2371248 0.86 GAA (0.51) GAAHTTPOLBMAPTPIK3CA
SCHEMBL29789768 0.86 GRIN2D (0.53) GAAHTTPOLBMAPTPIK3CA
SCHEMBL12654053 0.86 HTR3E (0.64) GAAHTTPOLBMAPTPIK3CA
SCHEMBL4945956 0.86 GAA (0.59) GAAHTTPOLBMAPTPIK3CA
SCHEMBL5329 0.86 GRIN2D (0.53) GAAHTTPOLBMAPTPIK3CA
SCHEMBL17787692 0.86 GAA (0.51) GAAHTTPOLBMAPTPIK3CA
SCHEMBL29762448 0.86 GRIN2D (0.53) GAAHTTPOLBMAPTPIK3CA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020025477-A1 Non-aqueous electrolytic solution and secondary battery containing same MITSUBISHI CHEMICAL CORPORATION (JP) 2002-02-28 US claimed
EP-1172878-A2 Non-aqueous electrolytic solution and secondary battery containing same MITSUBISHI CHEMICAL CORPORATION (JP) 2002-01-16 EP claimed
CN-112739699-B Pyridopyrimidine compounds as histamine H4 receptor inhibitors 费斯制药股份有限公司 2023-11-28 CN disclosed
US-6767671-B2 STABILITY; HEAT RESISTANCE MITSUBISHI CHEMICAL CORPORATION (JP) 2004-07-27 US disclosed
US-20020025477-A1 Non-aqueous electrolytic solution and secondary battery containing same MITSUBISHI CHEMICAL CORPORATION (JP) 2002-02-28 US disclosed
EP-1172878-A2 Non-aqueous electrolytic solution and secondary battery containing same MITSUBISHI CHEMICAL CORPORATION (JP) 2002-01-16 EP disclosed