SCHEMBL30310302

SCHEMBL30310302

COc1cccc2[nH]c(C(=O)NC(CC3CC3(C)C)C(=O)N[C@H](C#N)C[C@@H]3CCCNC3=O)cc12

nearest known ligand 0.81

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 3/20 0.81
▸ CTSB P07858 3/20 0.81
▸ CTSS P25774 3/20 0.81

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
SCHEMBL24113209 1.00 CTSL (0.81) CTSLCTSBCTSS
SCHEMBL25283930 1.00 CTSL (0.81) CTSLCTSBCTSS
SCHEMBL24020722 1.00 CTSL (0.81) CTSLCTSBCTSS
SCHEMBL24020574 1.00 CTSL (0.81) CTSLCTSBCTSS
SCHEMBL25283931 1.00 CTSL (0.81) CTSLCTSBCTSS
SCHEMBL25283604 0.94 CTSL (0.80) CTSLCTSBCTSS
SCHEMBL25283603 0.94 CTSL (0.80) CTSLCTSBCTSS
SCHEMBL24113136 0.94 CTSL (0.80) CTSLCTSBCTSS
SCHEMBL24020709 0.94 CTSL (0.80) CTSLCTSBCTSS
SCHEMBL24020154 0.94 CTSL (0.80) 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
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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