SCHEMBL8723602

SCHEMBL8723602

CCN(CC)Cc1ccc(Nc2cc[c]cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.52
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
PYCR1 P32322 1/20 0.37
CNR2 P34972 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
SCHEMBL188508 0.82 HRH3 (0.60) HRH3HDAC8HDAC6PYCR1CNR2
SCHEMBL28629479 0.81 HRH3 (0.55) HRH3HDAC8HDAC6BCHEACHE
SCHEMBL8721626 0.81 HRH3 (0.48) HRH3HDAC6
SCHEMBL8723594 0.79 HRH3 (0.44) HRH3HDAC8HDAC6BCHEACHE
SCHEMBL5543937 0.79 RAB9A (0.46)
SCHEMBL5544578 0.76 LPL (0.39)
SCHEMBL7768079 0.76 HRH3 (0.84) HRH3HDAC8HDAC6PYCR1CNR2
SCHEMBL4471773 0.75 HRH3 (0.61) HRH3HDAC8HDAC6BCHEACHE
SCHEMBL7531410 0.73 HRH3 (0.48) HRH3HDAC8HDAC6PYCR1CNR2
SCHEMBL5543619 0.73 HPGD (0.50)

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-0832091-A1 C-4' MODIFIED ADENOSINE KINASE INHIBITORS GENSIA, INC. (US) 1998-04-01 EP disclosed
WO-1996040705-A1 C-4' MODIFIED ADENOSINE KINASE INHIBITORS GENSIA SICOR (US) 1996-12-19 WO disclosed