SCHEMBL29144562

SCHEMBL29144562

CC(C)(C)CC(OC(N)=O)C(=O)NC(C[C@@H]1CCNC1=O)C(=O)C(=O)NC1CC1

nearest known ligand 0.51

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
SCHEMBL29144563 1.00 CTSL (0.51) CTSLCTSB
SCHEMBL29144560 1.00 CTSL (0.51) CTSLCTSB
SCHEMBL28951759 0.89 CTSL (0.55) CTSLCTSB
SCHEMBL29144558 0.89 CTSL (0.47) CTSLCTSB
SCHEMBL29144561 0.89 CTSL (0.47) CTSLCTSB
SCHEMBL29144559 0.89 CTSL (0.47) CTSLCTSB
SCHEMBL28951711 0.86 CTSL (0.45) CTSLCTSB
SCHEMBL28951706 0.86 CTSL (0.45) CTSLCTSB
SCHEMBL28951067 0.86 CTSL (0.45) CTSLCTSB
SCHEMBL25288677 0.81 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117136178-A SARS-COV-2 Mpro inhibitor compounds 赫帕雷斯治疗有限公司 2023-11-28 — — CN claimed
CN-117136178-A SARS-COV-2 Mpro inhibitor compounds 赫帕雷斯治疗有限公司 2023-11-28 — — CN disclosed
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