SCHEMBL29062977

SCHEMBL29062977

COc1cccc2[nH]c(C(=O)N[C@@H](CC3CC3(F)F)C(=O)NC(CC3CCCNC3=O)C(N)=O)cc12

nearest known ligand 0.68

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CTSB P07858 7/20 0.63
▸ CTSS P25774 6/20 0.63
▸ CTSL P07711 4/20 0.63

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
SCHEMBL30008706 1.00 CTSB (0.63) CTSBCTSSCTSL
SCHEMBL24020863 1.00 CTSB (0.63) CTSBCTSSCTSL
SCHEMBL30008375 0.94 CTSB (0.65) CTSBCTSSCTSL
SCHEMBL24113211 0.94 CTSB (0.64) CTSBCTSSCTSL
SCHEMBL25286949 0.94 CTSB (0.64) CTSBCTSSCTSL
SCHEMBL25286950 0.94 CTSB (0.64) CTSBCTSSCTSL
SCHEMBL24021129 0.94 CTSB (0.65) CTSBCTSSCTSL
SCHEMBL30310363 0.94 CTSB (0.64) CTSBCTSSCTSL
SCHEMBL23824477 0.91 CTSB (0.67) CTSBCTSSCTSL
SCHEMBL23824364 0.91 CTSB (0.67) CTSBCTSSCTSL

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
CN-116685576-A Cysteine protease inhibitors and methods of use thereof 美商帕迪斯生物科学公司 2023-09-01 — — CN disclosed
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