SCHEMBL17333398

SCHEMBL17333398

CCCN(C=O)CCCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.53
CHRM2 P08172 1/20 0.53
HTR1A P08908 1/20 0.53
ADRA2A P08913 1/20 0.53
CHRM1 P11229 1/20 0.53
DRD1 P21728 1/20 0.53
SLC6A2 P23975 1/20 0.53
SLC6A4 P31645 1/20 0.53
ADRA1A P35348 1/20 0.53
OPRM1 P35372 1/20 0.53
DRD3 P35462 1/20 0.53
SLC6A3 Q01959 1/20 0.53
SIGMAR1 Q99720 4/20 0.51
AOC3 Q16853 1/20 0.49
BCHE P06276 2/20 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
SCHEMBL11567363 0.95 SIGMAR1 (0.58) KCNH2CHRM2HTR1AADRA2ACHRM1
SCHEMBL6981878 0.91 KCNH2 (0.52) KCNH2CHRM2HTR1AADRA2ACHRM1
SCHEMBL17333300 0.89 TAAR1 (0.48) KCNH2CHRM2HTR1AADRA2ACHRM1
SCHEMBL17333301 0.88 KCNH2 (0.59) KCNH2CHRM2HTR1AADRA2ACHRM1
SCHEMBL11706981 0.86 OPRM1 (0.48) KCNH2CHRM2HTR1AADRA2ACHRM1
SCHEMBL10012187 0.85 SIGMAR1 (0.55) KCNH2SIGMAR1
SCHEMBL10013077 0.84 SIGMAR1 (0.58) KCNH2SIGMAR1
SCHEMBL10012700 0.84 SIGMAR1 (0.58) KCNH2SIGMAR1
SCHEMBL17333389 0.83 KCNH2 (0.44) KCNH2CHRM2HTR1AADRA2ACHRM1
SCHEMBL17333730 0.83 MEN1 (0.45) KCNH2CHRM2HTR1AADRA2ACHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10439252-B2 Electrolyte solution for electrochemical device, and electrochemical device FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2019-10-08 US disclosed
US-20150364792-A1 ELECTROLYTE SOLUTION FOR ELECTROCHEMICAL DEVICE, AND ELECTROCHEMICAL DEVICE WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2015-12-17 US disclosed