SCHEMBL30968535

SCHEMBL30968535

CC(C)(C)OC(=O)N1CCN(c2nc3c(cc2F)C[C@@H](NC(=O)OCc2ccccc2)CO3)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.44
ACHE P22303 2/20 0.44
TLR9 Q9NR96 4/20 0.43
TLR7 Q9NYK1 2/20 0.43
GRIA1 P42261 1/20 0.41
P2RX7 Q99572 2/20 0.40
MAPT P10636 2/20 0.40
MAPK1 P28482 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
NTSR1 P30989 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
GPR119 Q8TDV5 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KIT P10721 1/20 0.40
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
RORC P51449 1/20 0.39
SLC2A1 P11166 1/20 0.39
CA1 P00915 1/20 0.39

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
SCHEMBL30060046 1.00 BACE1 (0.44) BACE1ACHETLR9TLR7GRIA1
SCHEMBL21684995 0.90 CA1 (0.41) ACHEMAPTL3MBTL1ALDH1A1CA1
SCHEMBL21684998 0.90 CA1 (0.41) ACHEMAPTL3MBTL1ALDH1A1CA1
SCHEMBL20722699 0.90 CA1 (0.41) ACHEMAPTL3MBTL1ALDH1A1CA1
SCHEMBL21684984 0.86 ACHE (0.45) BACE1ACHETLR9TLR7P2RX7
SCHEMBL20722673 0.86 ACHE (0.45) BACE1ACHETLR9TLR7P2RX7
SCHEMBL29286147 0.85 BACE1 (0.46) BACE1ACHETLR9TLR7MAPT
SCHEMBL29286149 0.85 BACE1 (0.46) BACE1ACHETLR9TLR7MAPT
SCHEMBL30968518 0.85 BACE1 (0.46) BACE1ACHETLR9TLR7MAPT
SCHEMBL20722765 0.79 BACE1 (0.47) BACE1ACHEP2RX7MAPTMAPK1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112867712-B Carboxamide as ubiquitin-specific protease inhibitor 瓦洛早期发现股份有限公司 2024-07-16 CN disclosed