SCHEMBL6964252

SCHEMBL6964252

c1cc(NC2=NCCN2)c2nnsc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 8/20 0.51
ADRA2B P18089 7/20 0.51
ADRA2C P18825 7/20 0.51
ADRA1A P35348 6/20 0.51
ADRA1D P25100 5/20 0.51
ADRA1B P35368 5/20 0.51
HTR7 P34969 2/20 0.47
LMNA P02545 4/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HTR1A P08908 2/20 0.46
CYP2D6 P10635 2/20 0.46
MEN1 O00255 1/20 0.46
SLC22A1 O15245 1/20 0.46
SLC22A3 O75751 1/20 0.46
CYP2C9 P11712 1/20 0.46
HRH2 P25021 1/20 0.46
CYP2C19 P33261 1/20 0.46
OPRK1 P41145 1/20 0.46

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
SCHEMBL5898442 0.76 ADRA2A (0.60) ADRA2AADRA2BADRA2CADRA1AADRA1D
SCHEMBL6054549 0.73 ADRA2A (0.60) ADRA2AADRA2BADRA2CADRA1AADRA1D
SCHEMBL11181464 0.73 ADRA2A (0.52) ADRA2AADRA2BADRA2CADRA1AADRA1D
SCHEMBL11188323 0.73 ADRA2A (0.52) ADRA2AADRA2BADRA2CADRA1AADRA1D
SCHEMBL252912 0.72 ADRA2A (0.66) ADRA2AADRA2BADRA2CADRA1AADRA1D
SCHEMBL11178853 0.71 ADRA2A (0.50) ADRA2AADRA2BADRA2CADRA1AADRA1D
SCHEMBL11190309 0.70 ADRA2A (0.56) ADRA2AADRA2BADRA2CADRA1AADRA1D
SCHEMBL11098850 0.69 ADRA2A (0.69) ADRA2AADRA2BADRA2CADRA1AADRA1D
SCHEMBL1741885 0.69 ADRA2A (0.77) ADRA2AADRA2BADRA2CADRA1AADRA1D
SCHEMBL30357746 0.69 ADRA2A (0.62) ADRA2AADRA2BADRA2CADRA1AADRA1D

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