SCHEMBL24112779

SCHEMBL24112779

C[C@](C#N)(CC1CCCNC1=O)NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)c1cc2ccccc2[nH]1

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.45
CTSB P07858 1/20 0.45
CTSS P25774 1/20 0.45

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
SCHEMBL24112969 0.85 CTSL (0.60) CTSLCTSBCTSS
SCHEMBL24112970 0.85 CTSL (0.60) CTSLCTSBCTSS
SCHEMBL24740493 0.85 CTSL (0.60) CTSLCTSBCTSS
SCHEMBL24020165 0.83 CYP51A1 (0.44) CTSLCTSBCTSS
SCHEMBL21702265 0.77 CYP51A1 (0.49)
SCHEMBL26494098 0.77
SCHEMBL24020121 0.77 CTSB (0.65) CTSLCTSBCTSS
SCHEMBL24020258 0.77 CTSB (0.65) CTSLCTSBCTSS
SCHEMBL24020255 0.77 CTSB (0.65) CTSLCTSBCTSS
SCHEMBL23836436 0.76 CTSL (0.42) 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