SCHEMBL30403301

SCHEMBL30403301

NC(=O)C(=O)CC[C@@H]1CCCNC1=O

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.38
CCR2 P41597 12/20 0.35
KLK5 Q9Y337 1/20 0.35
FOLH1 Q04609 1/20 0.34
HTT P42858 1/20 0.33
CCR1 P32246 1/20 0.31
CCR5 P51681 1/20 0.31
CXCR4 P61073 1/20 0.31

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
SCHEMBL30192621 0.90 CCR2 (0.31) L3MBTL1CCR2
SCHEMBL30403414 0.82 L3MBTL1 (0.39) L3MBTL1CCR2KLK5FOLH1HTT
SCHEMBL29015392 0.81 FOLH1 (0.51) L3MBTL1CCR2FOLH1HTT
SCHEMBL29015390 0.81 FOLH1 (0.51) L3MBTL1CCR2FOLH1HTT
SCHEMBL7351109 0.80 L3MBTL1 (0.40) L3MBTL1CCR2FOLH1HTTCCR1
SCHEMBL30396402 0.79 CCR2 (0.37) L3MBTL1CCR2HTTCCR1CCR5
SCHEMBL30140717 0.79 L3MBTL1 (0.39) L3MBTL1CCR2FOLH1HTT
SCHEMBL18077368 0.77 L3MBTL1 (0.38) L3MBTL1CCR2KLK5HTT
SCHEMBL24486583 0.76 GAA (0.35) L3MBTL1CCR2FOLH1
SCHEMBL30170353 0.76 GAA (0.35) L3MBTL1CCR2FOLH1

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-116096714-A Antiviral compounds for the treatment of coronavirus, picornavirus and norovirus infections 安力高医药股份有限公司 2023-05-09 CN disclosed