SCHEMBL11157545

SCHEMBL11157545

Clc1cccc(-c2ccccc2)c1NC1=NCCN1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 11/20 0.76
ADRA2B P18089 7/20 0.76
ADRA2C P18825 7/20 0.76
ADRA1A P35348 5/20 0.76
LMNA P02545 4/20 0.76
ADRA1D P25100 3/20 0.76
ADRA1B P35368 3/20 0.76
BLM P54132 3/20 0.76
HTR7 P34969 2/20 0.76
HTR2A P28223 1/20 0.76
HTR2C P28335 1/20 0.76
TMEM97 Q5BJF2 1/20 0.76
NPSR1 Q6W5P4 1/20 0.76
NISCH Q9Y2I1 4/20 0.73
CYP2D6 P10635 2/20 0.73
HRH2 P25021 2/20 0.73
MEN1 O00255 1/20 0.73
SLC22A1 O15245 1/20 0.73
SLC22A3 O75751 1/20 0.73
HTR1A P08908 1/20 0.73

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 SCHEMBL40752 0.87 ADRA2A (1.00) ADRA2AADRA2BADRA2CADRA1ALMNA
Clonidine SCHEMBL2231324 0.87 ADRA2A (1.00) ADRA2AADRA2BADRA2CADRA1ALMNA
Clonidine SCHEMBL5983 0.85 ADRA2A (1.00) ADRA2AADRA2BADRA2CADRA1ALMNA
Clonidine SCHEMBL613364 0.84 ADRA2A (0.97) ADRA2AADRA2BADRA2CADRA1ALMNA
Clonidine SCHEMBL9838990 0.84 ADRA2A (0.97) ADRA2AADRA2BADRA2CADRA1ALMNA
Clonidine SCHEMBL18050245 0.80 ADRA2A (0.82) ADRA2AADRA2BADRA2CADRA1ALMNA
SCHEMBL11176814 0.78 ADRA2A (0.79) ADRA2AADRA2BADRA2CADRA1ALMNA
SCHEMBL9920135 0.78 ADRA2A (0.79) ADRA2AADRA2BADRA2CADRA1ALMNA
SCHEMBL12225936 0.78 ADRA2A (0.79) ADRA2AADRA2BADRA2CADRA1ALMNA
SCHEMBL11161510 0.78 ADRA2A (0.76) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0017484-B1 2-IMIDAZOLINE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND THE PHARMACEUTICAL COMPOSITION OF THE SAME FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1983-04-06 EP disclosed
EP-0017484-A1 2-Imidazoline derivatives, process for the preparation thereof and the pharmaceutical composition of the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1980-10-15 EP disclosed