SCHEMBL17333300

SCHEMBL17333300

CCCN(C=O)CCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.48
AOC3 Q16853 2/20 0.47
SIGMAR1 Q99720 3/20 0.46
OPRM1 P35372 2/20 0.45
DRD3 P35462 2/20 0.45
DRD2 P14416 1/20 0.45
OPRD1 P41143 1/20 0.45
OPRK1 P41145 1/20 0.45
KCNH2 Q12809 2/20 0.43
CHRM2 P08172 1/20 0.43
HTR1A P08908 1/20 0.43
ADRA2A P08913 1/20 0.43
CHRM1 P11229 1/20 0.43
DRD1 P21728 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
ADRA1A P35348 1/20 0.43
SLC6A3 Q01959 1/20 0.43

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
SCHEMBL4291654 0.90 TAAR1 (0.52) TAAR1AOC3SIGMAR1OPRK1KCNH2
SCHEMBL11706981 0.89 OPRM1 (0.48) TAAR1AOC3SIGMAR1OPRM1DRD3
SCHEMBL17333398 0.89 KCNH2 (0.53) AOC3SIGMAR1OPRM1DRD3KCNH2
SCHEMBL11567363 0.88 SIGMAR1 (0.58) AOC3SIGMAR1OPRM1DRD3KCNH2
SCHEMBL7397101 0.87 AOC3 (0.53) TAAR1AOC3SIGMAR1OPRM1DRD3
SCHEMBL8857306 0.83 TSHR (0.43) AOC3SIGMAR1
SCHEMBL9227248 0.81 TAAR1 (0.48) TAAR1AOC3SIGMAR1OPRM1DRD3
SCHEMBL17333387 0.81 MEN1 (0.47) TAAR1AOC3SIGMAR1OPRM1OPRD1
SCHEMBL17333464 0.81 TAAR1 (0.44) TAAR1AOC3SIGMAR1
SCHEMBL5522932 0.81 TAAR1 (0.47) TAAR1AOC3SIGMAR1OPRM1OPRD1

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