SCHEMBL25134446

SCHEMBL25134446

C[C@@H](C[C@@H]1CCNC1=O)C(O)COCN

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 2/20 0.32
▸ CAPN1 P07384 1/20 0.32
▸ CTSB P07858 1/20 0.32
▸ CTSS P25774 1/20 0.32
▸ CTSK P43235 1/20 0.32
▸ CTSF Q9UBX1 1/20 0.32

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
SCHEMBL24939113 0.79 CTSV (0.37) CTSLCTSBCTSSCTSK
SCHEMBL23847805 0.71 MAPT (0.34) CTSLCAPN1
SCHEMBL4370243 0.71 CAPN1 (0.32) CTSLCAPN1
SCHEMBL25134614 0.71 PTGER3 (0.35) —
SCHEMBL6732243 0.70 AR (0.44) CTSLCAPN1
SCHEMBL24740339 0.70 CTSL (0.33) CTSLCAPN1CTSBCTSSCTSK
Hydrochloric Acid SCHEMBL4188440 0.70 CAPN1 (0.31) CTSLCAPN1
SCHEMBL25006853 0.70 PTGER3 (0.34) —
SCHEMBL24690796 0.69 CCR2 (0.34) —
SCHEMBL30396609 0.69 CTSL (0.36) CTSLCAPN1CTSBCTSSCTSK

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-2023055702-A1 MAIN PROTEASE (M PRO) INHIBITORS AND METHODS USING SAME ARBUTUS BIOPHARMA CORPORATION (CA) 2023-04-06 — — WO disclosed
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