SCHEMBL30973786

SCHEMBL30973786

CCOC(C)(C)C(=O)Nc1ncnn2c([C@]3(C#N)O[C@H](COC(=O)CC4CCCC4)[C@@H](OC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)[C@H]3O)ccc12

nearest known ligand 0.38

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ TMPRSS2 O15393 1/20 0.37

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
SCHEMBL30973739 0.99 TMPRSS2 (0.37) TMPRSS2
SCHEMBL30973780 0.99 TMPRSS2 (0.37) TMPRSS2
SCHEMBL30973777 0.95 TMPRSS2 (0.35) TMPRSS2
SCHEMBL30973776 0.95 TMPRSS2 (0.35) TMPRSS2
SCHEMBL30973722 0.95 TMPRSS2 (0.39) TMPRSS2
SCHEMBL30973775 0.95 TMPRSS2 (0.39) TMPRSS2
SCHEMBL30973803 0.95 TMPRSS2 (0.35) TMPRSS2
SCHEMBL30973769 0.95 TMPRSS2 (0.35) TMPRSS2
SCHEMBL30973750 0.95 TMPRSS2 (0.35) TMPRSS2
SCHEMBL30973732 0.94 TMPRSS2 (0.38) 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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