SCHEMBL30494483

SCHEMBL30494483

O=C(O)NC(C[C@@H]1CCNC1=O)C(=O)CBr

nearest known ligand 0.41

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 1/20 0.37
▸ CTSL P07711 1/20 0.37

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
SCHEMBL6512989 1.00 CAPN1 (0.37) CAPN1CTSL
SCHEMBL23824515 0.86 CTSV (0.36) CTSL
SCHEMBL6515959 0.86 CTSV (0.36) CTSL
SCHEMBL23824512 0.86 CTSV (0.36) CTSL
SCHEMBL23824437 0.83 CTSL (0.37) CTSL
SCHEMBL23824440 0.83 CTSL (0.37) CTSL
SCHEMBL23824442 0.83 CTSL (0.37) CTSL
SCHEMBL8276856 0.81 — —
SCHEMBL8278581 0.81 — —
SCHEMBL30140807 0.79 CTSL (0.45) CAPN1CTSL

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-2023150790-A2 NOVEL AND HIGHLY SELECTIVE SARS-COV-2 MPRO INHIBITORS THE WISTAR INSTITUTE OF ANATOMY AND BIOLOGY (US) 2023-08-10 — — WO disclosed
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