SCHEMBL5047484

SCHEMBL5047484

[CH2]C1CCN(C(=O)c2cccc(I)c2)CC1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 5/20 0.62
L3MBTL3 Q96JM7 6/20 0.52
L3MBTL1 Q9Y468 3/20 0.52
ALDH1A1 P00352 1/20 0.47
TP53 P04637 1/20 0.47
L3MBTL4 Q8NA19 1/20 0.47
ACHE P22303 1/20 0.46
HSD11B1 P28845 1/20 0.46
MBTD1 Q05BQ5 1/20 0.46
HPGD P15428 1/20 0.45

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
SCHEMBL5047494 0.85 ACHE (0.67) MGLLL3MBTL3L3MBTL1ALDH1A1TP53
SCHEMBL1947109 0.82 HPGD (0.65) MGLLL3MBTL3L3MBTL1ALDH1A1TP53
SCHEMBL12547325 0.82 SMN1; SMN2 (0.63) MGLLL3MBTL3L3MBTL1ALDH1A1TP53
SCHEMBL9500153 0.82 MGLL (0.67) MGLLL3MBTL1ALDH1A1HSD11B1
SCHEMBL9633335 0.82 HPGD (0.68) MGLLL3MBTL3L3MBTL1ALDH1A1HSD11B1
SCHEMBL6022167 0.81 MGLL (0.58) MGLLL3MBTL3L3MBTL1ALDH1A1TP53
SCHEMBL7906862 0.81 HPGD (0.66) MGLLL3MBTL3L3MBTL1ALDH1A1TP53
SCHEMBL8988831 0.80 ACHE (0.69) MGLLL3MBTL3L3MBTL1ALDH1A1ACHE
SCHEMBL22516911 0.80 MGLL (0.57) MGLLL3MBTL3L3MBTL1ALDH1A1TP53
SCHEMBL28704780 0.78 POLB (0.70) MGLLALDH1A1HSD11B1HPGD

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
EP-1732534-B1 USE OF METHYLENE AMIDE DERIVATIVES IN CARDIOVASCULAR DISORDERS SERONO LAB (CH) 2008-07-23 EP claimed
EP-1732534-A1 USE OF METHYLENE AMIDE DERIVATIVES IN CARDIOVASCULAR DISORDERS Applied Research Systems ARS Holding N.V. (AN) 2006-12-20 EP claimed
WO-2005082347-A1 USE OF METHYLENE AMIDE DERIVATIVES IN CARDIOVASCULAR DISORDERS APLLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2005-09-09 WO claimed