SCHEMBL25075887

SCHEMBL25075887

CC(C)(C)C(NCC(F)(F)F)C(=O)NC(CC1CC1)C(=O)NC(C#N)CC1CCNC1=O

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CTSV O60911 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ CTSS P25774 1/20 0.49
▸ CTSK P43235 1/20 0.49

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
SCHEMBL25075692 0.95 — —
SCHEMBL25075786 0.95 — —
SCHEMBL25075921 0.86 CTSV (0.39) CTSVCYP3A4CTSSCTSK
SCHEMBL25075922 0.86 CTSV (0.40) CTSVCYP3A4CTSSCTSK
SCHEMBL25075788 0.86 CTSV (0.39) CTSVCYP3A4CTSSCTSK
SCHEMBL25075787 0.86 CTSV (0.40) CTSVCYP3A4CTSSCTSK
SCHEMBL25075877 0.85 CTSV (0.40) CTSVCYP3A4CTSSCTSK
SCHEMBL24740272 0.85 CTSV (0.40) CTSVCYP3A4CTSSCTSK
SCHEMBL25075797 0.85 CTSV (0.38) CTSVCYP3A4CTSSCTSK
SCHEMBL24960431 0.84 CTSV (0.55) CTSVCYP3A4CTSSCTSK

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-2023023631-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. (US) 2023-02-23 — — WO disclosed
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