SCHEMBL6504430

SCHEMBL6504430

CCOC(=O)C1CCN(C(=O)c2ccc(C(C)(C)C)cc2)CC1

nearest known ligand 0.74

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.74
MEN1 O00255 5/20 0.74
TSHR P16473 1/20 0.65
GLA P06280 1/20 0.63
NPC1L1 Q9UHC9 1/20 0.60
GAA P10253 1/20 0.60
KDM4E B2RXH2 1/20 0.58
POLB P06746 1/20 0.58
RAB9A P51151 1/20 0.57
HPGD P15428 1/20 0.56
NPC1 O15118 1/20 0.56
ALDH1A1 P00352 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
HTT P42858 1/20 0.56
USP2 O75604 1/20 0.55

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
SCHEMBL4468382 0.89 GAA (0.64) KMT2AMEN1TSHRGLAGAA
SCHEMBL14409571 0.87 TSHR (0.70) KMT2AMEN1TSHRGLAGAA
SCHEMBL16823981 0.85 MEN1 (0.60) KMT2AMEN1NPC1L1KDM4EPOLB
SCHEMBL6270590 0.85 HPGD (0.73) KMT2AMEN1NPC1L1POLBHPGD
SCHEMBL314589 0.84 TSHR (0.75) KMT2AMEN1TSHRGLAGAA
SCHEMBL4172039 0.84 TSHR (0.67) KMT2AMEN1TSHRGLAGAA
SCHEMBL3339277 0.84 TSHR (0.67) KMT2ATSHRGLAGAAKDM4E
SCHEMBL6973124 0.84 GAA (0.73) KMT2AMEN1TSHRGLAGAA
SCHEMBL4598393 0.83 TSHR (0.66) KMT2AMEN1TSHRGLAGAA
SCHEMBL988274 0.82 MEN1 (0.66) KMT2AMEN1GAAKDM4EHPGD

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
CN-114591222-A Method for efficiently preparing fluoro-alkene amide 江南大学 2022-06-07 CN disclosed
WO-2005058882-A1 COMPOUNDS HAVING MORPHOLINYL AND PIPERIDINYL GROUPS FOR USE AS GLYT1 AND GLYT2 INHIBITORS GLAXO GROUP LIMITED (GB) 2005-06-30 WO disclosed
WO-2005058882-A1 COMPOUNDS HAVING MORPHOLINYL AND PIPERIDINYL GROUPS FOR USE AS GLYT1 AND GLYT2 INHIBITORS GLAXO GROUP LIMITED (GB) 2005-06-30 WO disclosed