SCHEMBL8103290

SCHEMBL8103290

O=[N+]([O-])/N=C1/NCCCN1CC1CCOC1

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
HSD11B1 P28845 1/20 0.33
RPS6KA3 P51812 1/20 0.30

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
SCHEMBL8103292 1.00 CHRNB2 (0.33) CHRNB2CHRNA4HSD11B1RPS6KA3
SCHEMBL237651 0.92 CHRNB2 (0.38) CHRNB2CHRNA4HSD11B1
SCHEMBL8103082 0.92 CHRNB2 (0.38) CHRNB2CHRNA4HSD11B1
SCHEMBL9059438 0.82
SCHEMBL8111369 0.80 CHRNB2 (0.31) CHRNB2CHRNA4
SCHEMBL8551542 0.80
SCHEMBL8551549 0.80
SCHEMBL8119267 0.79 CHRNA1 (0.44) HSD11B1
SCHEMBL8119269 0.79 CHRNA1 (0.44) HSD11B1
SCHEMBL8103147 0.79 CHRNB2 (0.31) CHRNB2CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-8048682-A None JP disclosed
EP-0685477-B1 Insecticidal tetrahydrofuran-compound MITSUI CHEMICALS INC (JP) 2000-10-18 EP disclosed
US-5614527-A NITROGUANIDINE COMPOUND MITSUI TOATSU CHEMICALS, INC. (JP) 1997-03-25 US disclosed
JP-H0848682-A INSECTICIDAL TETRAHYDROFURAN-BASED COMPOUND MITSUI TOATSU CHEM INC 1996-02-20 JP disclosed
EP-0685477-A1 Insecticidal tetrahydrofuran-compound MITSUI TOATSU CHEMICALS, Inc. (JP) 1995-12-06 EP disclosed
JP-H00848682-A 0001-01-01 JP disclosed