SCHEMBL28021652

SCHEMBL28021652

c1ccc(C2(SOSC3(c4ccccc4)CCCCC3)CCCCC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.41
SLC6A2 P23975 2/20 0.41
SLC6A3 Q01959 2/20 0.41
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
CYP2B6 P20813 1/20 0.41
PRCP P42785 1/20 0.41
GRIN1 Q05586 1/20 0.41
KCNH2 Q12809 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41
GRIN2C Q14957 1/20 0.41
GRIN3A Q8TCU5 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
DPP4 P27487 1/20 0.39
AKR1C1 Q04828 1/20 0.39

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
SCHEMBL28021649 0.98 DPP4 (0.41) SLC6A4SLC6A2SLC6A3GRIN2DGRIN3B
SCHEMBL775742 0.80 SLC6A4 (0.50) SLC6A4SLC6A2SLC6A3GRIN2DGRIN3B
SCHEMBL775972 0.80 SLC6A4 (0.45) SLC6A4SLC6A2SLC6A3GRIN2DGRIN3B
SCHEMBL775522 0.78 SLC6A2 (0.47) SLC6A4SLC6A2SLC6A3GRIN2DGRIN3B
SCHEMBL776948 0.78 DPP4 (0.45) SLC6A4SLC6A2SLC6A3GRIN2DGRIN3B
SCHEMBL775973 0.77 SLC6A4 (0.42) SLC6A4SLC6A2SLC6A3GRIN2DGRIN3B
SCHEMBL776949 0.74 DPP4 (0.42) SLC6A4SLC6A2SLC6A3GRIN2DGRIN3B
SCHEMBL25919211 0.70 OPRM1 (0.41) OPRM1
SCHEMBL791817 0.69 SLC6A4 (0.47) SLC6A4SLC6A2SLC6A3GRIN2DGRIN3B
SCHEMBL24157288 0.67 ESR1 (0.58) SLC6A4SLC6A2SLC6A3GRIN2DGRIN3B

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-108091826-A Nonaqueous electrolyte solution for secondary battery and nonaqueous electrolyte secondary battery using same 三菱化学株式会社 2018-05-29 CN disclosed
CN-106848406-A Nonaqueous electrolyte solution for secondary battery and nonaqueous electrolyte secondary battery using same 三菱化学株式会社 2017-06-13 CN disclosed
CN-105633345-A Nonaqueous electrolyte solution for secondary battery and nonaqueous electrolyte secondary battery using same MITSUBISHI CHEM CORP 2016-06-01 CN disclosed
CN-103259044-B Nonaqueous electrolyte solution and nonaqueous electrolyte secondary battery MITSUBISHI CHEMICAL CORP. (JP) 2016-02-10 CN disclosed
CN-104868157-A Nonaqueous electrolyte solution for secondary battery and nonaqueous electrolyte secondary battery using same MITSUBISHI CHEM CORP 2015-08-26 CN disclosed