SCHEMBL29558284

SCHEMBL29558284

CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CCC(=O)OC(C)(C)C)C(=O)Nc1ccc(C[N+]2(C)CCCCC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CA2 P00918 1/20 0.38
BACE1 P56817 11/20 0.37
BACE2 Q9Y5Z0 1/20 0.37
CCR5 P51681 2/20 0.37
PTPRB P23467 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
ADAMTS4 O75173 1/20 0.36

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
SCHEMBL29559678 0.87 MEN1 (0.51) MEN1KMT2ACA2BACE1CCR5
SCHEMBL17595993 0.85 MEN1 (0.45) MEN1KMT2ACA2BACE1BACE2
SCHEMBL17595995 0.85 MEN1 (0.45) MEN1KMT2ACA2BACE1BACE2
SCHEMBL17595996 0.85 MEN1 (0.45) MEN1KMT2ACA2BACE1BACE2
SCHEMBL18921021 0.84 MEN1 (0.44) MEN1KMT2ACA2BACE1BACE2
SCHEMBL18921022 0.84 MEN1 (0.44) MEN1KMT2ACA2BACE1BACE2
SCHEMBL28236293 0.77 HDAC8 (0.44) MEN1KMT2ACA2BACE1BACE2
SCHEMBL28236294 0.77 HDAC8 (0.44) MEN1KMT2ACA2BACE1BACE2
SCHEMBL29558722 0.75 CCR5 (0.41) BACE1CCR5
SCHEMBL17595568 0.75 MEN1 (0.41) MEN1KMT2ACA2BACE1PTPRB

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-114732916-B Targeted delivery of tertiary amine-containing drug substances 西雅图基因公司 2023-12-19 CN disclosed
CN-114732916-A Targeted delivery of tertiary amine-containing drug substances 西雅图基因公司 2022-07-12 CN disclosed
CN-107108694-B Targeted delivery of tertiary amine-containing drug substances 西雅图基因公司 2022-05-03 CN disclosed