SCHEMBL30973789

SCHEMBL30973789

CCN(CC)C(=O)Nc1ncnn2c([C@]3(C#N)O[C@H](COC(=O)CC4CCCCC4)[C@@H](O)[C@H]3O)ccc12

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ TMPRSS2 O15393 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL24917229 0.90 TMPRSS2 (0.49) TMPRSS2TDP1
SCHEMBL24791744 0.89 TMPRSS2 (0.48) TMPRSS2TDP1
SCHEMBL24917264 0.88 TMPRSS2 (0.48) TMPRSS2TDP1
SCHEMBL30973725 0.88 TMPRSS2 (0.41) TMPRSS2
SCHEMBL24789760 0.88 TMPRSS2 (0.47) TMPRSS2
SCHEMBL25913466 0.87 TMPRSS2 (0.58) TMPRSS2TDP1
SCHEMBL24917107 0.87 TMPRSS2 (0.58) TMPRSS2TDP1
SCHEMBL31660972 0.87 TMPRSS2 (0.40) TMPRSS2
SCHEMBL24789426 0.87 TMPRSS2 (0.49) TMPRSS2
SCHEMBL25917297 0.87 TMPRSS2 (0.49) TMPRSS2

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
WO-2024129963-A1 ORALLY-BIOAVAILABLE NUCLEOSIDE ANALOGS VenatoRx Pharmaceuticals, Inc. (US) 2024-06-20 — — WO disclosed
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