SCHEMBL24112574

SCHEMBL24112574

CC1CC1COC(=O)[C@H](C[C@@H]1CCCNC1=O)NC(=O)CN

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NOD1 Q9Y239 1/20 0.34
▸ CTSL P07711 1/20 0.34
▸ CTSB P07858 1/20 0.34
▸ CTSS P25774 1/20 0.34

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
SCHEMBL19605969 0.88 CTSB (0.38) CTSLCTSBCTSS
SCHEMBL23506393 0.80 CTSL (0.39) CTSLCTSBCTSS
SCHEMBL21702165 0.77 CTSL (0.38) CTSLCTSB
SCHEMBL19606056 0.75 CTSB (0.39) CTSLCTSBCTSS
SCHEMBL24113343 0.74 CTSB (0.38) CTSLCTSBCTSS
SCHEMBL24690561 0.74 — —
SCHEMBL22758564 0.73 — —
SCHEMBL24113138 0.72 CTSB (0.40) CTSLCTSBCTSS
SCHEMBL25249170 0.72 CTSB (0.40) CTSLCTSBCTSS
SCHEMBL29062993 0.72 CTSB (0.40) CTSLCTSBCTSS

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-2021252644-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. (US) 2021-12-16 — — WO disclosed
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