SCHEMBL30973774

SCHEMBL30973774

CC(C)NC(=O)Nc1ncnn2c([C@]3(C#N)O[C@H](COC(=O)CC4CCCCC4)[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 0.38

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
SCHEMBL30603769 0.95 TMPRSS2 (0.39) TMPRSS2
SCHEMBL24917893 0.95 TMPRSS2 (0.38) TMPRSS2
SCHEMBL25922733 0.94 TMPRSS2 (0.38) TMPRSS2
SCHEMBL30973732 0.93 TMPRSS2 (0.38) TMPRSS2
SCHEMBL30973762 0.93 TMPRSS2 (0.37) TMPRSS2
SCHEMBL30973772 0.93 TMPRSS2 (0.38) TMPRSS2
SCHEMBL24917059 0.93 TMPRSS2 (0.37) TMPRSS2
SCHEMBL30973748 0.93 TMPRSS2 (0.37) TMPRSS2
SCHEMBL30973711 0.93 TMPRSS2 (0.38) TMPRSS2
SCHEMBL30973739 0.92 TMPRSS2 (0.37) 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
Send feedback