SCHEMBL29067086

SCHEMBL29067086

CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(NC(=O)Oc3ccccc3)cc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 2/20 0.59
▸ ABL1 P00519 1/20 0.57
▸ RIN1 Q13671 1/20 0.57
▸ KMT2A Q03164 4/20 0.54
▸ MEN1 O00255 3/20 0.54
▸ ALDH1A1 P00352 5/20 0.50
▸ MAPT P10636 4/20 0.50
▸ GAA P10253 2/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ NAMPT P43490 2/20 0.49
▸ KDM4E B2RXH2 3/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ USP2 O75604 1/20 0.48
▸ LIPE Q05469 1/20 0.47
▸ HPGD P15428 2/20 0.47
▸ THRB P10828 2/20 0.47
▸ PTPN2 P17706 1/20 0.47
▸ PTPN1 P18031 1/20 0.47
▸ PTPN6 P29350 1/20 0.47
▸ GFER P55789 1/20 0.47

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
SCHEMBL31396747 0.87 ABL1 (0.65) EPHX2ABL1RIN1KMT2AMEN1
SCHEMBL6942730 0.86 GAA (0.69) KMT2AMEN1ALDH1A1MAPTGAA
SCHEMBL12955058 0.86 EPHX2 (0.66) EPHX2ABL1RIN1KMT2AMEN1
SCHEMBL13671323 0.86 ABL1 (0.64) EPHX2ABL1RIN1KMT2AMEN1
SCHEMBL24756629 0.85 EPHX2 (0.48) EPHX2ABL1RIN1KMT2AMEN1
SCHEMBL29979667 0.84 NAMPT (0.71) EPHX2ABL1RIN1KMT2AMEN1
SCHEMBL12781644 0.84 EPHX2 (0.52) EPHX2ABL1RIN1KMT2AMEN1
SCHEMBL13963821 0.84 EPHX2 (0.52) EPHX2ABL1RIN1KMT2AMEN1
SCHEMBL25567301 0.82 NAMPT (0.69) ABL1RIN1KMT2AALDH1A1MAPT
SCHEMBL1374093 0.81 MEN1 (0.68) ABL1RIN1KMT2AMEN1ALDH1A1

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
CN-113185451-B Memantine urea derivative, and preparation method and application thereof 沈阳药科大学 2023-09-12 — — CN disclosed
CN-113185451-A Memantine urea derivative and preparation method and application thereof 沈阳药科大学 2021-07-30 — — CN disclosed
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