SCHEMBL25608141

SCHEMBL25608141

CCCCCOC(=O)Nc1ncnn2c([C@]3(C#N)O[C@H](COP(N[C@@H](C)C(=O)OCC(CC)CC)Oc4ccccc4)[C@@H](O)[C@H]3O)ccc12

nearest known ligand 0.57

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ TMPRSS2 O15393 1/20 0.41

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
SCHEMBL25609447 0.87 TMPRSS2 (0.42) TMPRSS2
SCHEMBL25909950 0.80 TMPRSS2 (0.54) TMPRSS2
SCHEMBL25766230 0.79 TMPRSS2 (0.40) TMPRSS2
SCHEMBL30091026 0.79 TMPRSS2 (0.46) TMPRSS2
SCHEMBL25609446 0.78 TMPRSS2 (0.43) TMPRSS2
SCHEMBL30089721 0.77 TMPRSS2 (0.44) TMPRSS2
SCHEMBL25821525 0.76 TMPRSS2 (0.43) TMPRSS2
SCHEMBL30931395 0.76 TMPRSS2 (0.46) TMPRSS2
SCHEMBL26003216 0.76 TMPRSS2 (0.42) TMPRSS2
SCHEMBL26127778 0.76 TMPRSS2 (0.48) 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-2023102472-A1 ANTIVIRAL PRODRUGS AND FORMULATIONS THEREOF THE SCRIPPS RESEARCH INSTITUTE (US) 2023-06-08 — — WO disclosed
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