SCHEMBL22468063

SCHEMBL22468063

CCCC1C[N+]([O-])(c2ccccc2)CCO1

nearest known ligand 0.31

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.31
HTR1A P08908 1/20 0.31
SLC6A2 P23975 1/20 0.31
HTR2A P28223 1/20 0.31
SLC6A4 P31645 1/20 0.31
ADRA1A P35348 1/20 0.31
HTR2B P41595 1/20 0.31
SLC6A3 Q01959 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31

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
SCHEMBL22467977 0.91 GRM2 (0.38)
SCHEMBL22467943 0.90 EPHX1 (0.42) CYP1A2
SCHEMBL22467911 0.89 ADRB2 (0.33) ADRB2HTR1ASLC6A2HTR2ASLC6A4
SCHEMBL22467950 0.89 EPHX1 (0.45) CYP1A2
SCHEMBL22468064 0.76 SLC6A2 (0.32) HTR1ASLC6A2ADRA1AHTR2BSLC6A3
SCHEMBL22467967 0.72 EPHX1 (0.34)
SCHEMBL22467908 0.70 EPHX1 (0.33)
SCHEMBL22467999 0.69 EPHX1 (0.32)
SCHEMBL9051047 0.68 CYP1A2 (0.44) CYP1A2CYP2C9
SCHEMBL22467894 0.68 EPHX1 (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11469448-B2 Electrolyte additive, electrolyte and lithium ion secondary battery containing the same MURATA MANUFACTURING CO., LTD. (JP) 2022-10-11 US disclosed
CN-111755749-A Electrolyte additive, electrolyte and lithium ion secondary battery comprising same 株式会社村田制作所 2020-10-09 CN disclosed
US-20200313239-A1 ELECTROLYTE ADDITIVE, ELECTROLYTE AND LITHIUM ION SECONDARY BATTERY CONTAINING THE SAME MURATA MANUFACTURING CO., LTD. (JP) 2020-10-01 US disclosed