SCHEMBL8112802

SCHEMBL8112802

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

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30
MAPT P10636 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
SCHEMBL8112800 1.00 CNR1 (0.31) CNR1CNR2ALDH1A1POLBMAPT
SCHEMBL8111116 0.89 GRM5 (0.31) CNR1CNR2
SCHEMBL8111111 0.89 GRM5 (0.31) CNR1CNR2
SCHEMBL8118902 0.86
SCHEMBL8118905 0.86
SCHEMBL8112840 0.85 CNR1 (0.31) CNR1CNR2
SCHEMBL8112837 0.85 CNR1 (0.31) CNR1CNR2
SCHEMBL8111399 0.82 CNR1 (0.31) CNR1CNR2
SCHEMBL8111394 0.82 CNR1 (0.31) CNR1CNR2
SCHEMBL8113081 0.73

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