SCHEMBL17333387

SCHEMBL17333387

O=CN(CCCl)CCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
TAAR1 Q96RJ0 1/20 0.44
AOC3 Q16853 3/20 0.41
OPRM1 P35372 2/20 0.39
OPRD1 P41143 2/20 0.39
OPRK1 P41145 2/20 0.39
ALOX5 P09917 1/20 0.38
SIGMAR1 Q99720 3/20 0.37

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) MEN1NPC1RAB9AKMT2ATDP1
SCHEMBL17333730 0.89 MEN1 (0.45) MEN1NPC1RAB9AKMT2ATDP1
SCHEMBL17333698 0.87 MEN1 (0.49) MEN1NPC1RAB9AKMT2ATDP1
SCHEMBL17333532 0.83 ALDH1A1 (0.40) MEN1NPC1RAB9AKMT2ATDP1
SCHEMBL17333464 0.81 TAAR1 (0.44) MEN1NPC1RAB9AKMT2ATDP1
SCHEMBL17333300 0.81 TAAR1 (0.48) TAAR1AOC3OPRM1OPRD1OPRK1
SCHEMBL5522932 0.81 TAAR1 (0.47) MEN1NPC1RAB9AKMT2ATDP1
SCHEMBL5522934 0.81 TAAR1 (0.47) MEN1NPC1RAB9AKMT2ATDP1
SCHEMBL17333711 0.79 TAAR1 (0.45) MEN1NPC1RAB9AKMT2ATDP1
SCHEMBL7397101 0.79 AOC3 (0.53) MEN1NPC1RAB9AKMT2ATDP1

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-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
CN-104969406-A Electrolyte solution for electrochemical device and electrochemical device WAKO PURE CHEM IND LTD 2015-10-07 CN disclosed