SCHEMBL4444447

SCHEMBL4444447

CCOC(=O)CN1CCCNCCNCCCNCC1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.51
CXCR4 P61073 8/20 0.46
CHRM5 P08912 2/20 0.44
CHRM3 P20309 2/20 0.44
MEN1 O00255 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
ADRA2C P18825 1/20 0.41
CCR2 P41597 1/20 0.41
CXCL12 P48061 1/20 0.41
BLM P54132 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
LMNA P02545 2/20 0.38
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL1418858 0.97 SIGMAR1 (0.54) SIGMAR1CXCR4CHRM5CHRM3MEN1
Hydrochloric Acid SCHEMBL22344162 0.95 SIGMAR1 (0.52) SIGMAR1CXCR4CHRM5CHRM3LMNA
SCHEMBL3684954 0.94 SIGMAR1 (0.51) SIGMAR1CXCR4CHRM5CHRM3LMNA
SCHEMBL28466894 0.94 SIGMAR1 (0.48) SIGMAR1CXCR4CHRM5CHRM3MEN1
SCHEMBL8911402 0.92 SIGMAR1 (0.47) SIGMAR1CHRM5CHRM3MEN1KMT2A
SCHEMBL26091201 0.92 SIGMAR1 (0.47) SIGMAR1CHRM5CHRM3MEN1KMT2A
Ethyl Piperazinoacetate SCHEMBL5699 0.90 SIGMAR1 (0.49) SIGMAR1CHRM5CHRM3MEN1KMT2A
SCHEMBL16093277 0.90 SIGMAR1 (0.48) SIGMAR1CXCR4CHRM5CHRM3MEN1
Ethyl Piperazinoacetate SCHEMBL17271810 0.89 SIGMAR1 (0.47) SIGMAR1CHRM5CHRM3TDP1LMNA
Ethyl Piperazinoacetate SCHEMBL16528281 0.89 SIGMAR1 (0.47) SIGMAR1CHRM5CHRM3TDP1LMNA

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
CN-111755746-A Lithium ion battery electrolyte and lithium ion battery 比亚迪股份有限公司 2020-10-09 CN claimed
CN-111755746-B Lithium ion battery electrolyte and lithium ion battery 比亚迪股份有限公司 2022-03-18 CN disclosed
CN-111755746-A Lithium ion battery electrolyte and lithium ion battery 比亚迪股份有限公司 2020-10-09 CN disclosed
EP-2109632-A2 MATERIAL COMPRISING POLYAZACYCLOALKANES GRAFTED ONTO POLYPROPYLENE FIBRES METHOD FOR PRODUCTION THEREOF AND METHOD FOR REMOVAL OF METAL CATIONS FROM A LIQUID Commissariat à l'Energie Atomique (FR) 2009-10-21 EP disclosed
WO-2008099114-A2 MATERIAL COMPRISING POLYAZACYCLOALKANES GRAFTED ONTO POLYPROPYLENE FIBRES METHOD FOR PRODUCTION THEREOF AND METHOD FOR REMOVAL OF METAL CATIONS FROM A LIQUID COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2008-08-21 WO disclosed