SCHEMBL6977059

SCHEMBL6977059

O=[N+]([O-])c1ccc(NC2=NCCN2)cc1

nearest known ligand 0.84

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 4/20 0.84
ADRA2A P08913 14/20 0.67
ADRA2B P18089 14/20 0.67
ADRA2C P18825 14/20 0.67
HTR1D P28221 1/20 0.59
HTR1B P28222 1/20 0.59
ADRA1D P25100 1/20 0.51
ADRA1A P35348 1/20 0.51
ADRA1B P35368 1/20 0.51

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
SCHEMBL5807468 0.92 PTGIR (1.00) PTGIRADRA2AADRA2BADRA2CHTR1D
Acetic Acid SCHEMBL6967870 0.92 PTGIR (0.73) PTGIRADRA2AADRA2BADRA2CHTR1D
SCHEMBL5827927 0.82 PTGIR (0.61) PTGIRADRA2AADRA2BADRA2CHTR1D
SCHEMBL27642201 0.81 PTGIR (0.62) PTGIRADRA2AADRA2BADRA2CHTR1D
SCHEMBL5827504 0.77 HTR1D (0.66) PTGIRADRA2AADRA2BADRA2CHTR1D
SCHEMBL24891637 0.76 PTGIR (0.53) PTGIRADRA2AADRA2BADRA2CHTR1D
SCHEMBL27642200 0.76 PTGIR (0.56) PTGIRADRA2AADRA2BADRA2CHTR1D
SCHEMBL13985246 0.75 ADRA2A (0.79) PTGIRADRA2AADRA2BADRA2CADRA1D
SCHEMBL13024513 0.75 ADRA2A (0.79) PTGIRADRA2AADRA2BADRA2CADRA1D
SCHEMBL4779741 0.75 ADRA2A (0.79) PTGIRADRA2AADRA2BADRA2CADRA1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0944603-B1 PROCESS FOR MAKING 2-AMINO-2-IMIDAZOLINE, GUANIDINE, AND 2-AMINO-3,4,5,6-TETRAHYDROPYRIMIDINE DERIVATIVES PROCTER & GAMBLE (US) 2003-02-19 EP disclosed
US-6066740-A Process for making 2-amino-2-imidazoline, guanidine and 2-amino-3,4,5,6-tetrahydropyrimidine derivatives THE PROCTER & GAMBLE COMPANY (US) 2000-05-23 US disclosed
EP-0944603-A1 PROCESS FOR MAKING 2-AMINO-2-IMIDAZOLINE, GUANIDINE, AND 2-AMINO-3,4,5,6-TETRAHYDROPYRIMIDINE DERIVATIVES THE PROCTER & GAMBLE COMPANY (US) 1999-09-29 EP disclosed
WO-1998023595-A1 PROCESS FOR MAKING 2-AMINO-2-IMIDAZOLINE, GUANIDINE, AND 2-AMINO-3,4,5,6-TETRAHYDROPYRIMIDINE DERIVATIVES THE PROCTER & GAMBLE COMPANY (US) 1998-06-04 WO disclosed