SCHEMBL29979043

SCHEMBL29979043

CNC(=O)C1CCCN(C(=O)c2ccc(NC(=O)NC34CC5C[C@@](C)(C3)C[C@](C)(C5)C4)cc2)C1

nearest known ligand 0.76

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 18/20 0.76
POLB P06746 1/20 0.52
ALDH1A1 P00352 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
SCHEMBL29978519 0.93 EPHX2 (0.81) EPHX2POLBALDH1A1
SCHEMBL29067093 0.91 EPHX2 (0.73) EPHX2POLB
SCHEMBL29978947 0.91 EPHX2 (0.73) EPHX2POLB
SCHEMBL29979184 0.91 EPHX2 (0.79) EPHX2
SCHEMBL29979695 0.91 EPHX2 (0.79) EPHX2
SCHEMBL29979044 0.91 EPHX2 (0.72) EPHX2POLBALDH1A1
SCHEMBL29979162 0.90 EPHX2 (0.77) EPHX2
SCHEMBL29979386 0.90 EPHX2 (0.77) EPHX2
SCHEMBL29978843 0.90 EPHX2 (0.77) EPHX2
SCHEMBL29979012 0.89 EPHX2 (0.75) EPHX2

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