SCHEMBL8173564

SCHEMBL8173564

CCN(CC)Cc1cccc(C(N)=O)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEP1B Q16820 4/20 0.66
▸ BCHE P06276 1/20 0.52
▸ HPGD P15428 1/20 0.51
▸ HTT P42858 1/20 0.51
▸ PARP1 P09874 6/20 0.50
▸ BRD4 O60885 1/20 0.49
▸ BRD3 Q15059 1/20 0.49
▸ AOC3 Q16853 2/20 0.49
▸ MEP1A Q16819 1/20 0.48
▸ PTPN1 P18031 1/20 0.47
▸ HDAC8 Q9BY41 1/20 0.46
▸ HDAC6 Q9UBN7 1/20 0.46
▸ GRIN2D O15399 1/20 0.46
▸ GRIN3B O60391 1/20 0.46
▸ GRIN1 Q05586 1/20 0.46
▸ GRIN2A Q12879 1/20 0.46
▸ GRIN2B Q13224 1/20 0.46
▸ GRIN2C Q14957 1/20 0.46
▸ GRIN3A Q8TCU5 1/20 0.46
▸ IDH1 O75874 1/20 0.46

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
SCHEMBL5915679 0.84 POLB (0.57) MEP1BBCHEAOC3MEP1APTPN1
SCHEMBL2911625 0.84 MEP1B (0.59) MEP1BPARP1BRD4BRD3AOC3
SCHEMBL4407864 0.84 MEP1B (0.65) MEP1BBCHEMEP1APTPN1
SCHEMBL28822119 0.83 KCNH2 (0.50) MEP1BBCHEPARP1IDH1
Hydrochloric Acid SCHEMBL3863131 0.83 MEP1B (0.57) MEP1BPARP1BRD4BRD3AOC3
SCHEMBL30896294 0.82 MEP1B (0.59) MEP1BPARP1IDH1
SCHEMBL2108942 0.82 MEP1B (0.59) MEP1BPARP1IDH1
SCHEMBL45866 0.82 PARP1 (0.57) MEP1BPARP1BRD4BRD3IDH1
SCHEMBL3957425 0.82 TSHR (0.58) MEP1BBCHEHPGDBRD4BRD3
SCHEMBL22844086 0.81 MEP1B (0.59) MEP1BPARP1BRD4BRD3AOC3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6030984-A 7-(4-PHENOXYPHENYL)-6-OXOQUINOLIZINES AND DERIVATIVES OF TRICYCLIC RING ANALOGUES, PARTICULARLY 7-OXOTHIENO-(2,3-A)QUINOLIZINE; INHIBITING BETA-AMYLOID PEPTIDE ACTIVITY HOFFMANN-LA ROCHE INC. (US) 2000-02-29 — — US disclosed
US-5869500-A INHIBITING BETA-AMYLOID PEPTIDE ACTIVITY HOFFMANN-LA ROCHE INC. (US) 1999-02-09 — — US disclosed
WO-1998025930-A2 USE OF BI- AND TRICYCLIC PYRIDONE DERIVATIVES AGAINST ALZHEIMER'S DISEASE F. HOFFMANN-LA ROCHE AG (CH) 1998-06-18 — — WO disclosed
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