SCHEMBL28732896

SCHEMBL28732896

CC(C)CC(NC(=O)OC(C)(C)C)C(=O)NC(C[C@@H]1CCNC1=O)C(N)=O

nearest known ligand 0.57

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 1/20 0.51
▸ CTSB P07858 1/20 0.51

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
SCHEMBL24425333 1.00 CTSL (0.51) CTSLCTSB
SCHEMBL24690562 1.00 CTSL (0.51) CTSLCTSB
SCHEMBL24583074 0.94 REN (0.47) CTSLCTSB
SCHEMBL30819685 0.93 CTSL (0.46) CTSLCTSB
SCHEMBL19586866 0.91 CTSL (0.54) CTSLCTSB
SCHEMBL19586870 0.91 CTSL (0.54) CTSLCTSB
SCHEMBL19586868 0.91 CTSL (0.54) CTSLCTSB
SCHEMBL24113103 0.91 CTSL (0.42) CTSL
SCHEMBL24020461 0.91 CTSL (0.42) CTSL
SCHEMBL24013950 0.91 CTSL (0.42) CTSL

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114681443-B Nitrile-containing antiviral compounds 辉瑞大药厂 2024-05-10 — — CN disclosed
CN-116789648-A Nitrile-containing antiviral compounds 辉瑞大药厂 2023-09-22 — — CN disclosed
CN-114466838-B Nitrile-containing antiviral compounds 辉瑞大药厂 2023-05-02 — — CN disclosed
CN-114681443-A Nitrile-containing antiviral compounds 辉瑞大药厂 2022-07-01 — — CN disclosed
CN-114466838-A Nitrile-containing antiviral compounds 辉瑞大药厂 2022-05-10 — — CN disclosed
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