SCHEMBL28861303

SCHEMBL28861303

CCOC1CCN(C(=O)c2ccccc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 1/20 0.62
▸ BLM P54132 1/20 0.56
▸ NAMPT P43490 1/20 0.55
▸ EPHX1 P07099 1/20 0.54
▸ L3MBTL3 Q96JM7 1/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ KMT2A Q03164 2/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ ALDH1A1 P00352 1/20 0.53
▸ HPGD P15428 1/20 0.51
▸ JAK1 P23458 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL13803669 0.85 ACHE (0.59) ACHEBLMNAMPTEPHX1L3MBTL3
SCHEMBL4156411 0.85 ACHE (0.58) ACHEBLMNAMPTEPHX1L3MBTL3
SCHEMBL27748883 0.83 ACHE (0.68) ACHEBLMEPHX1L3MBTL3L3MBTL1
SCHEMBL27485479 0.81 ACHE (0.57) ACHEBLMEPHX1L3MBTL3L3MBTL1
SCHEMBL7809522 0.80 ACHE (0.64) ACHEEPHX1L3MBTL3L3MBTL1KMT2A
SCHEMBL7480840 0.80 ACHE (0.52) ACHEBLMNAMPTEPHX1L3MBTL3
SCHEMBL2618044 0.80 ACHE (0.68) ACHEBLMEPHX1L3MBTL3L3MBTL1
SCHEMBL4678438 0.80 ACHE (0.63) ACHEEPHX1L3MBTL3L3MBTL1KMT2A
SCHEMBL6973124 0.79 GAA (0.73) KMT2AMEN1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL27814775 0.79 GAA (0.67) KMT2AMEN1ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108276352-A A kind of nitrogen-containing heterocycle compound and its preparation method and purposes with eelworm-killing activity 华东理工大学 2018-07-13 — — CN disclosed
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