SCHEMBL28565689

SCHEMBL28565689

CC(C)(C)OC(=O)N1CCN(c2cc(F)c3c(c2Br)OCC(NC(=O)OCc2ccccc2)C3)CC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.47
MAPT P10636 4/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
MAPK1 P28482 3/20 0.43
NPSR1 Q6W5P4 3/20 0.43
NTSR1 P30989 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
P2RX7 Q99572 3/20 0.41
ACHE P22303 2/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
POLB P06746 2/20 0.40
ALDH1A1 P00352 1/20 0.40
RORC P51449 1/20 0.40
GPR55 Q9Y2T6 1/20 0.39
YAP1 P46937 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
SCHEMBL20722765 1.00 BACE1 (0.47) BACE1MAPTMEN1KMT2AMAPK1
SCHEMBL20722760 0.90 CA1 (0.42) L3MBTL1ACHECA1CA2ALDH1A1
SCHEMBL21686008 0.90 CA1 (0.42) L3MBTL1ACHECA1CA2ALDH1A1
SCHEMBL21686007 0.90 CA1 (0.42) L3MBTL1ACHECA1CA2ALDH1A1
SCHEMBL30968513 0.89 BACE1 (0.46) BACE1MAPTMEN1KMT2AMAPK1
SCHEMBL20722887 0.89 BACE1 (0.46) BACE1MAPTMEN1KMT2AMAPK1
SCHEMBL29286138 0.89 BACE1 (0.46) BACE1MAPTMEN1KMT2AMAPK1
SCHEMBL21685901 0.88 CA1 (0.45) BACE1MAPTMEN1KMT2AMAPK1
SCHEMBL21685906 0.88 RORC (0.40) BACE1MAPTKMT2AMAPK1NPSR1
SCHEMBL20722698 0.85 BACE1 (0.45) BACE1MAPTMEN1KMT2AMAPK1

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 2 patents. 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
CN-112867712-A Carboxamides as ubiquitin-specific protease inhibitors 瓦洛早期发现股份有限公司 2021-05-28 CN disclosed