SCHEMBL29979665

SCHEMBL29979665

C[C@]12CC3CC(NC(=O)Nc4ccc(C(=O)N5CCC(N)CC5)cc4)(C1)C[C@@](C)(C3)C2

nearest known ligand 0.79

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 20/20 0.79
HDAC6 Q9UBN7 2/20 0.52
HDAC3 O15379 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC11 Q96DB2 1/20 0.52

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
SCHEMBL29067088 1.00 EPHX2 (0.79) EPHX2HDAC6HDAC3HDAC1HDAC2
SCHEMBL30570991 0.90 EPHX2 (0.76) EPHX2HDAC6
SCHEMBL29978880 0.90 EPHX2 (0.76) EPHX2HDAC6
SCHEMBL29978796 0.89 EPHX2 (0.78) EPHX2HDAC6
SCHEMBL28431225 0.89 EPHX2 (1.00) EPHX2HDAC6HDAC3HDAC1HDAC2
SCHEMBL29979081 0.88 EPHX2 (0.82) EPHX2HDAC6HDAC3HDAC1HDAC2
SCHEMBL29978592 0.88 EPHX2 (0.82) EPHX2HDAC6HDAC3HDAC1HDAC2
SCHEMBL29067096 0.88 EPHX2 (0.82) EPHX2HDAC6HDAC3HDAC1HDAC2
SCHEMBL29979012 0.87 EPHX2 (0.75) EPHX2HDAC6
SCHEMBL29979619 0.87 EPHX2 (0.75) EPHX2HDAC6

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
WO-2022227743-A1 MEMANTINE UREA DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF 沈阳药科大学 2022-11-03 WO claimed
CN-113185451-B Memantine urea derivative, and preparation method and application thereof 沈阳药科大学 2023-09-12 CN disclosed
WO-2022227743-A1 MEMANTINE UREA DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF 沈阳药科大学 2022-11-03 WO disclosed