SCHEMBL6189326

SCHEMBL6189326

CN1CN(C2CCCCC2)CN(CC2CCOC2)C1=N[N+](=O)[O-]

nearest known ligand 0.36

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.36

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
SCHEMBL6186039 0.84 CYP11B2 (0.30)
SCHEMBL8546024 0.84 CYP11B2 (0.30)
SCHEMBL10026157 0.84 CYP11B2 (0.30)
SCHEMBL6189245 0.81
SCHEMBL6187672 0.80
SCHEMBL9059259 0.78 CNR1 (0.31)
SCHEMBL236032 0.78 CNR1 (0.31)
SCHEMBL8111116 0.70 GRM5 (0.31) HSD11B1
SCHEMBL8111111 0.70 GRM5 (0.31) HSD11B1
SCHEMBL9063102 0.70 CYP11B2 (0.32) HSD11B1

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-0869120-B1 Process for the preparation of nitroguanidine derivatives starting from 2-nitroimino-hexahydro-1,3,5-triazines in the presence of ammonia, primary or secondary amine MITSUI CHEMICALS INC (JP) 2005-07-20 EP disclosed
US-6118007-A REACTING THE CORRESPONDING TRIAZINE COMPOUND WITH AMMONIAOR AN AMINE MITSUI CHEMICALS, INC. (JP) 2000-09-12 US disclosed
EP-0869120-A1 Process for the preparation of nitroguanidine derivatives starting from 2-nitroimino-hexahydro-1,3,5-triazines in the presence of ammonia, primary or secondary amine Mitsui Chemicals, Inc. (JP) 1998-10-07 EP disclosed