SCHEMBL30310313

SCHEMBL30310313

N[C@@H](CC1CC1)C(=O)NC(C[C@@H]1CCCNC1=O)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 2/20 0.39
▸ CTSB P07858 2/20 0.39
▸ NOD1 Q9Y239 1/20 0.38
▸ GRN P28799 2/20 0.36
▸ SORT1 Q99523 2/20 0.36
▸ LTA4H P09960 1/20 0.36

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
SCHEMBL29063147 1.00 CTSL (0.39) CTSLCTSBNOD1GRNSORT1
SCHEMBL23824535 0.93 CTSL (0.44) CTSLCTSB
SCHEMBL29063282 0.93 CTSL (0.44) CTSLCTSB
SCHEMBL23824532 0.93 CTSL (0.44) CTSLCTSB
SCHEMBL23824408 0.91 MMP1 (0.36) CTSLCTSB
SCHEMBL23824709 0.91 MMP1 (0.36) CTSLCTSB
SCHEMBL23824665 0.91 CTSL (0.47) CTSLCTSBGRNSORT1LTA4H
SCHEMBL23824410 0.91 MMP1 (0.36) CTSLCTSB
SCHEMBL23824663 0.91 CTSL (0.47) CTSLCTSBGRNSORT1LTA4H
SCHEMBL30310593 0.91 MMP1 (0.36) CTSLCTSB

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
EP-4161902-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. (US) 2023-04-12 — — EP disclosed
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