SCHEMBL5067771

SCHEMBL5067771

NC1=NC(c2ccccc2Cl)(c2ccccc2Cl)CN1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.43
HTR5A P47898 9/20 0.37
HTR1A P08908 4/20 0.36
HTR2C P28335 4/20 0.36
HTR7 P34969 4/20 0.36
HTR1D P28221 3/20 0.36
HTR2A P28223 2/20 0.36
HTR3A P46098 2/20 0.36
HDAC4 P56524 1/20 0.35
HTR6 P50406 1/20 0.34
HRH1 P35367 1/20 0.34
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
TSHR P16473 1/20 0.33
BACE1 P56817 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL4238081 0.66 BACE1 (0.59) TAAR1HTR5AHDAC4GRIN1GRIN2A
SCHEMBL30344664 0.61 HDAC4 (0.43) TAAR1HDAC4GRIN1GRIN2ATSHR
SCHEMBL1604324 0.61 HDAC4 (0.43) TAAR1HDAC4GRIN1GRIN2ATSHR
SCHEMBL4284969 0.60 TAAR1 (0.35) TAAR1HTR5AHTR1AHTR2CHTR7
SCHEMBL3607239 0.60 TAAR1 (1.00) TAAR1
SCHEMBL3607237 0.60 TAAR1 (1.00) TAAR1
SCHEMBL3611849 0.60 TAAR1 (1.00) TAAR1
SCHEMBL31506444 0.60 LMNA (0.45) TAAR1HDAC4GRIN1GRIN2ATSHR
Hydrochloric Acid SCHEMBL2364251 0.59 HDAC4 (0.42) TAAR1HDAC4GRIN1GRIN2ATSHR
SCHEMBL23647453 0.58 ADRB1 (0.40) HTR2CHTR2AHDAC4GRIN1GRIN2A

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-1954682-A1 NOVEL 2-AMINO-IMIDAZOLE-4-ONE COMPOUNDS AND THEIR USE IN THE MANUFACTURE OF A MEDICAMENT TO BE USED IN THE TREATMENT OF COGNITIVE IMPAIRMENT, ALZHEIMER S DISEASE, NEURODEGENERATION AND DEMENTIA Astra Zeneca AB (SE) 2008-08-13 EP claimed
WO-2007058601-A1 NOVEL 2-AMINO-IMIDAZOLE-4-ONE COMPOUNDS AND THEIR USE IN THE MANUFACTURE OF A MEDICAMENT TO BE USED IN THE TREATMENT OF COGNITIVE IMPAIRMENT, ALZHEIMER’S DISEASE, NEURODEGENERATION AND DEMENTIA ASTRAZENECA AB (SE) 2007-05-24 WO claimed