SCHEMBL11468136

SCHEMBL11468136

Clc1cccc(Br)c1N=C1NCCN1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.32
HSP90AA1 P07900 1/20 0.32
PARP10 Q53GL7 1/20 0.31
PARP11 Q9NR21 1/20 0.31
MEN1 O00255 1/20 0.30
SLC22A1 O15245 1/20 0.30
SLC22A3 O75751 1/20 0.30
LMNA P02545 1/20 0.30
HTR1A P08908 1/20 0.30
ADRA2A P08913 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
ADRA2B P18089 1/20 0.30
ADRA2C P18825 1/20 0.30
HRH2 P25021 1/20 0.30
ADRA1D P25100 1/20 0.30
CYP2C19 P33261 1/20 0.30
ADRA1A P35348 1/20 0.30
ADRA1B P35368 1/20 0.30
OPRK1 P41145 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
Clonidine SCHEMBL1369066 0.87 MAPT (0.34) MAPTHSP90AA1MEN1SLC22A1SLC22A3
Clonidine SCHEMBL5982 0.87 MAPT (0.36) MAPTHSP90AA1MEN1SLC22A1SLC22A3
Clonidine SCHEMBL1369983 0.87 MAPT (0.36) MAPTHSP90AA1MEN1SLC22A1SLC22A3
SCHEMBL4716982 0.87 PARP10 (0.35) PARP10PARP11
Clonidine SCHEMBL10972183 0.85 ADRA2A (0.36) MAPTHSP90AA1MEN1SLC22A1SLC22A3
Clonidine SCHEMBL22127030 0.85 MAPT (0.35) MAPTHSP90AA1MEN1SLC22A1SLC22A3
Clonidine SCHEMBL3974275 0.85 ADRA2A (0.36) MAPTHSP90AA1MEN1SLC22A1SLC22A3
Clonidine SCHEMBL9838987 0.85 MAPT (0.35) MAPTHSP90AA1MEN1SLC22A1SLC22A3
Clonidine SCHEMBL40751 0.85 ADRA2A (0.36) MAPTHSP90AA1MEN1SLC22A1SLC22A3
Clonidine SCHEMBL1172959 0.85 ADRA2A (0.36) MAPTHSP90AA1MEN1SLC22A1SLC22A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0007422-A1 Substituted 2-phenylamino-imidazolines-(2), their acid addition salts, medicaments containing them and processes for their preparation C.H. BOEHRINGER SOHN (DE) 1980-02-06 EP disclosed