SCHEMBL6361983

SCHEMBL6361983

CCN1CN(C)c2ccccc2C1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CES1 P23141 6/20 0.44
▸ BCHE P06276 2/20 0.44
▸ ALDH1A1 P00352 7/20 0.44
▸ ALDH2 P05091 1/20 0.44
▸ ALDH3A1 P30838 1/20 0.44
▸ CDC25A P30304 1/20 0.43
▸ DRD2 P14416 2/20 0.42
▸ HTR6 P50406 2/20 0.42
▸ OPRM1 P35372 2/20 0.42
▸ SLC6A4 P31645 2/20 0.42
▸ HRH1 P35367 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ CHRM2 P08172 1/20 0.42
▸ HTR1A P08908 1/20 0.42
▸ ADRA2A P08913 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ DRD1 P21728 1/20 0.42
▸ SLC6A2 P23975 1/20 0.42
▸ HTR2A P28223 1/20 0.42
▸ HTR7 P34969 1/20 0.42

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
SCHEMBL6362589 0.86 CES1 (0.44) CES1BCHEALDH1A1ALDH2ALDH3A1
SCHEMBL6360056 0.86 ALDH1A1 (0.41) CES1BCHEALDH1A1ALDH2ALDH3A1
SCHEMBL8578821 0.83 CES1 (0.42) CES1BCHEALDH1A1ALDH2ALDH3A1
SCHEMBL6362382 0.80 CES1 (0.48) CES1BCHEALDH1A1ALDH2ALDH3A1
SCHEMBL18134861 0.79 HTT (0.46) CES1ALDH1A1ALDH2ALDH3A1DRD2
SCHEMBL3457356 0.77 ALDH1A1 (0.42) CES1BCHEALDH1A1ALDH2ALDH3A1
SCHEMBL30463973 0.77 ALDH1A1 (0.42) CES1BCHEALDH1A1ALDH2ALDH3A1
Bromide SCHEMBL9327220 0.76 ALDH1A1 (0.41) CES1BCHEALDH1A1ALDH2ALDH3A1
Hydrochloric Acid SCHEMBL5144204 0.76 ALDH1A1 (0.41) CES1BCHEALDH1A1ALDH2ALDH3A1
Iodide SCHEMBL9327210 0.76 ALDH1A1 (0.41) CES1BCHEALDH1A1ALDH2ALDH3A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1317013-B1 NON-AQUEOUS ELECTROLYTE AND SECONDARY CELL USING THE SAME MITSUBISHI CHEM CORP (JP) 2017-03-15 — — EP disclosed
US-6942948-B2 Nonaqueous electrolyte solution and secondary battery employing the same MITSUBISHI CHEMICAL CORPORATION (JP) 2005-09-13 — — US disclosed
US-20030165733-A1 Nonaqueous electrolyte solution and secondary battery employing the same MITSUBISHI CHEMICAL CORPORATION (JP) 2003-09-04 — — US disclosed
EP-1317013-A1 NON-AQUEOUS ELECTROLYTE AND SECONDARY CELL USING THE SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2003-06-04 — — EP disclosed
Send feedback