SCHEMBL30973716

SCHEMBL30973716

CCN(CC)C(=O)Nc1ncnn2c([C@]3(C#N)O[C@H](COC(=O)Cc4ccccc4)[C@@H](OC(=O)[C@@H](N)C(C)C)[C@H]3O)ccc12

nearest known ligand 0.41

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ TMPRSS2 O15393 1/20 0.41
▸ IARS1 P41252 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
SCHEMBL31660950 0.93 TMPRSS2 (0.41) TMPRSS2
SCHEMBL24791272 0.92 TMPRSS2 (0.43) TMPRSS2IARS1
SCHEMBL25910220 0.91 TMPRSS2 (0.43) TMPRSS2
SCHEMBL24789454 0.91 TMPRSS2 (0.43) TMPRSS2
SCHEMBL27413417 0.91 TMPRSS2 (0.42) TMPRSS2IARS1
SCHEMBL24916993 0.91 TMPRSS2 (0.42) TMPRSS2IARS1
SCHEMBL30973766 0.91 TMPRSS2 (0.42) TMPRSS2IARS1
SCHEMBL27413517 0.91 TMPRSS2 (0.42) TMPRSS2IARS1
SCHEMBL30973746 0.91 TMPRSS2 (0.42) TMPRSS2
SCHEMBL30973753 0.91 TMPRSS2 (0.42) 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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