SCHEMBL29286138

SCHEMBL29286138

CC(C)(C)OC(=O)N1CCN(c2cc3c(c(F)c2Br)CC(NC(=O)OCc2ccccc2)CO3)CC1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.46
P2RX7 Q99572 6/20 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
L3MBTL1 Q9Y468 1/20 0.40
RORC P51449 2/20 0.39
ACHE P22303 2/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
YAP1 P46937 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL20722887 1.00 BACE1 (0.46) BACE1P2RX7MAPTMAPK1NPSR1
SCHEMBL30968513 1.00 BACE1 (0.46) BACE1P2RX7MAPTMAPK1NPSR1
SCHEMBL28568816 0.90 CA1 (0.41) L3MBTL1ACHECA1CA2ALDH1A1
SCHEMBL20722849 0.90 CA1 (0.41) L3MBTL1ACHECA1CA2ALDH1A1
SCHEMBL20722765 0.89 BACE1 (0.47) BACE1P2RX7MAPTMAPK1NPSR1
SCHEMBL28565689 0.89 BACE1 (0.47) BACE1P2RX7MAPTMAPK1NPSR1
SCHEMBL20722421 0.89 BACE1 (0.44) BACE1P2RX7MEN1KMT2AL3MBTL1
SCHEMBL30062344 0.89 BACE1 (0.44) BACE1P2RX7MEN1KMT2AL3MBTL1
SCHEMBL30968403 0.86 BACE1 (0.45) BACE1P2RX7MAPTMAPK1NPSR1
SCHEMBL20722698 0.86 BACE1 (0.45) BACE1P2RX7MAPTMAPK1NPSR1

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