SCHEMBL4828422

SCHEMBL4828422

c1ccc(CC2CCc3c[nH]nc3CN2)cc1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SLC22A1 O15245 1/20 0.35
PRCP P42785 1/20 0.35
GBA1 P04062 1/20 0.34
GRIN2B Q13224 2/20 0.34
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33

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
SCHEMBL4594197 0.74 POLB (0.40) POLBMEN1KMT2A
SCHEMBL14717867 0.69 POLB (0.58) POLBMEN1KMT2ASLC22A1PRCP
SCHEMBL4768294 0.68 MEN1 (0.46) POLBMEN1KMT2ASLC22A1PRCP
SCHEMBL17542062 0.68 POLB (0.71) POLBGBA1
SCHEMBL17542064 0.68 POLB (0.71) POLBGBA1
Hydrochloric Acid SCHEMBL17542000 0.66 POLB (0.69) POLBMEN1KMT2AGBA1
Hydrochloric Acid SCHEMBL18862980 0.66 POLB (0.69) POLBMEN1KMT2AGBA1
SCHEMBL10684249 0.65 MTNR1A (0.50) POLBMEN1KMT2ASLC22A1PRCP
SCHEMBL3124097 0.64 PNMT (0.62) POLBMEN1KMT2APRCP
SCHEMBL6965238 0.64 POLB (0.47) POLBGBA1DDB1CRBN

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-1899350-A1 PYRAZOLO Ý3 , 4-D¨AZEPINE DERIVATIVES AS HISTAMINE H3 ANTAGONISTS GLAXO GROUP LIMITED (GB) 2008-03-19 EP disclosed
WO-2007025596-A1 PYRAZOLO [3 , 4-D] AZEPINE DERIVATIVES AS HISTAMINE H3 ANTAGONISTS GLAXO GROUP LIMITED (GB) 2007-03-08 WO disclosed