SCHEMBL30968403

SCHEMBL30968403

CC(C)(C)OC(=O)N1CCN(c2cc(F)c3c(c2)OC[C@H](NC(=O)OCc2ccccc2)C3)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.45
CHRM4 P08173 1/20 0.41
P2RX7 Q99572 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
ACHE P22303 2/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
GPR119 Q8TDV5 1/20 0.40
ALK Q9UM73 1/20 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
DDB1 Q16531 1/20 0.40
CRBN Q96SW2 1/20 0.40
KIT P10721 1/20 0.39
FLT3 P36888 1/20 0.39
ALDH1A1 P00352 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
SCHEMBL28566177 1.00 BACE1 (0.45) BACE1CHRM4P2RX7MEN1KMT2A
SCHEMBL20722698 1.00 BACE1 (0.45) BACE1CHRM4P2RX7MEN1KMT2A
SCHEMBL20722829 0.90 CA1 (0.42) CHRM4L3MBTL1ACHECA1CA2
SCHEMBL20722605 0.90 CA1 (0.42) CHRM4L3MBTL1ACHECA1CA2
SCHEMBL20722602 0.90 CA1 (0.42) CHRM4L3MBTL1ACHECA1CA2
SCHEMBL24730159 0.87 KMT2A (0.39) KMT2AL3MBTL1ACHECA1CA2
SCHEMBL30061785 0.87 KMT2A (0.39) KMT2AL3MBTL1ACHECA1CA2
SCHEMBL20722616 0.87 KMT2A (0.39) KMT2AL3MBTL1ACHECA1CA2
SCHEMBL21685850 0.87 KMT2A (0.39) KMT2AL3MBTL1ACHECA1CA2
SCHEMBL20722887 0.86 BACE1 (0.46) BACE1P2RX7MEN1KMT2AL3MBTL1

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