SCHEMBL30931386

SCHEMBL30931386

CC(C)C(=O)O[C@H]1O[C@@](C#N)(c2ccc3c(NC(=O)[C@@H](N)Cc4ccc(F)cc4)ncnn23)[C@H](O)[C@@H]1O

nearest known ligand 0.45

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ TMPRSS2 O15393 1/20 0.45
▸ MC3R P41968 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
SCHEMBL24917045 0.90 TMPRSS2 (0.49) TMPRSS2MC3R
SCHEMBL24791241 0.89 TMPRSS2 (0.48) TMPRSS2
SCHEMBL24789408 0.87 TMPRSS2 (0.51) TMPRSS2MC3R
SCHEMBL25909943 0.86 TMPRSS2 (0.53) TMPRSS2MC3R
SCHEMBL30931391 0.86 TMPRSS2 (0.48) TMPRSS2
SCHEMBL24916854 0.86 TMPRSS2 (0.48) TMPRSS2
SCHEMBL24789759 0.86 TMPRSS2 (0.61) TMPRSS2MC3R
SCHEMBL24917603 0.85 TMPRSS2 (0.48) TMPRSS2
SCHEMBL24789404 0.85 TMPRSS2 (0.49) TMPRSS2MC3R
SCHEMBL24791239 0.83 TMPRSS2 (0.50) TMPRSS2MC3R

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
CN-118139868-A Orally bioavailable nucleoside analogs 维纳拓尔斯制药公司 2024-06-04 — — CN disclosed
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