SCHEMBL4789088

SCHEMBL4789088

c1ccc2c(c1)CC(NC1=NCCN1)c1ccccc1-2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 10/20 0.39
ADRA2B P18089 7/20 0.39
ADRA2C P18825 7/20 0.39
ADRA1A P35348 5/20 0.39
HTR7 P34969 1/20 0.39
ADRA1D P25100 2/20 0.38
ADRA1B P35368 2/20 0.38
HTR1A P08908 4/20 0.38
CYP2D6 P10635 3/20 0.38
OPRM1 P35372 2/20 0.38
HTR2A P28223 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
NISCH Q9Y2I1 2/20 0.37
ALDH1A1 P00352 1/20 0.37
BLM P54132 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
HTR1D P28221 2/20 0.36
SLC22A1 O15245 1/20 0.36
SLC22A3 O75751 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
SCHEMBL2215206 0.77 ADRA1A (0.49) ADRA2AADRA2BADRA2CADRA1AHTR1A
SCHEMBL12437174 0.77 ADRA1A (0.49) ADRA2AADRA2BADRA2CADRA1AHTR1A
SCHEMBL1718475 0.75 LMNA (0.60) ADRA2AADRA2BADRA2CADRA1AHTR1A
SCHEMBL12442744 0.75 LMNA (0.60) ADRA2AADRA2BADRA2CADRA1AHTR1A
SCHEMBL2216221 0.74 ADRA2A (0.46) ADRA2AADRA2BADRA2CADRA1AHTR7
Hydrochloric Acid SCHEMBL3501970 0.74 LMNA (0.59) ADRA2AADRA2BADRA2CADRA1AHTR1A
Iodide SCHEMBL4667056 0.73 ADRA2A (0.45) ADRA2AADRA2BADRA2CADRA1AHTR7
SCHEMBL22147295 0.72 HTR2A (0.46) ADRA2AADRA2BADRA2CADRA1AHTR2A
SCHEMBL9619466 0.71 ADRA2A (0.41) ADRA2AADRA2BADRA2CADRA1AHTR7
SCHEMBL14067912 0.70 NISCH (0.43) ADRA2AADRA2BADRA2CADRA1AHTR7

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
WO-2008123821-A1 4, 5-DIHYDRO-LH-IMIDAZOL-2-AMINE DERIVATIVES FOR USE IN THE TREATMENT OF RESPIRATORY, CARDIOVASCULAR, NEUROLOGICAL OR GASTROINTESTINAL DISORDERS ALBIREO AB (SE) 2008-10-16 WO claimed
WO-2008123821-A1 4, 5-DIHYDRO-LH-IMIDAZOL-2-AMINE DERIVATIVES FOR USE IN THE TREATMENT OF RESPIRATORY, CARDIOVASCULAR, NEUROLOGICAL OR GASTROINTESTINAL DISORDERS ALBIREO AB (SE) 2008-10-16 WO disclosed