SCHEMBL8111116

SCHEMBL8111116

CC(=O)N1CCCN(CC2CCOC2)C1=N[N+](=O)[O-]

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.31
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30
HSD11B1 P28845 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
SCHEMBL8111111 1.00 GRM5 (0.31) GRM5CNR1CNR2HSD11B1
SCHEMBL8111399 0.93 CNR1 (0.31) CNR1CNR2
SCHEMBL8111394 0.93 CNR1 (0.31) CNR1CNR2
SCHEMBL8112800 0.89 CNR1 (0.31) CNR1CNR2
SCHEMBL8112802 0.89 CNR1 (0.31) CNR1CNR2
SCHEMBL8118905 0.88
SCHEMBL8118902 0.88
SCHEMBL8113102 0.81
SCHEMBL8112837 0.81 CNR1 (0.31) CNR1CNR2
SCHEMBL8112840 0.81 CNR1 (0.31) CNR1CNR2

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
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
EP-0685477-A1 Insecticidal tetrahydrofuran-compound MITSUI TOATSU CHEMICALS, Inc. (JP) 1995-12-06 EP disclosed