SCHEMBL24530133

SCHEMBL24530133

O=CC(C[C@@H]1CCNC1=O)NC(=O)[C@H](CC1CC1)NC(=O)CCc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 3/20 0.60
▸ CTSB P07858 3/20 0.60

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
SCHEMBL29144580 0.88 CTSL (0.56) CTSLCTSB
SCHEMBL24530134 0.87 CTSL (0.53) CTSLCTSB
SCHEMBL29144557 0.84 CTSL (0.53) CTSLCTSB
SCHEMBL24530132 0.84 CTSL (0.57) CTSLCTSB
SCHEMBL24530137 0.84 CTSL (0.53) CTSLCTSB
SCHEMBL25767028 0.82 CTSL (0.45) CTSLCTSB
SCHEMBL24530136 0.82 CTSL (0.49) CTSLCTSB
SCHEMBL24961102 0.81 CTSL (0.81) CTSLCTSB
SCHEMBL30914040 0.81 CTSL (0.54) CTSLCTSB
SCHEMBL25766348 0.80 CTSL (0.70) 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
WO-2022129953-A1 SARS-COV-2 MPRO INHIBITOR COMPOUNDS HEPTARES THERAPEUTICS LIMITED (GB) 2022-06-23 — — WO disclosed
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