SCHEMBL25248762

SCHEMBL25248762

NC(=O)CCNNC(=O)[C@H](CC1CC1)NC(=O)OCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 8/20 0.49
▸ CTSB P07858 3/20 0.49
▸ CTSS P25774 3/20 0.49
▸ CTSL P07711 2/20 0.49
▸ TACR1 P25103 2/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL25286900 1.00 CTSK (0.49) CTSKCTSBCTSSCTSLTACR1
SCHEMBL25243246 0.96 CTSK (0.55) CTSKCTSBCTSSCTSLTACR1
SCHEMBL25287929 0.96 CTSK (0.55) CTSKCTSBCTSSCTSLTACR1
SCHEMBL25242835 0.95 CTSK (0.56) CTSKCTSBCTSSCTSL
SCHEMBL25289620 0.95 CTSK (0.56) CTSKCTSBCTSSCTSL
SCHEMBL25238189 0.83 CTSK (0.69) CTSKCTSBCTSSCTSL
SCHEMBL25282460 0.83 CTSK (0.69) CTSKCTSBCTSSCTSL
SCHEMBL25288954 0.83 CTSK (0.57) CTSKCTSBCTSSCTSLTACR1
SCHEMBL25288955 0.83 CTSK (0.57) CTSKCTSBCTSSCTSLTACR1
SCHEMBL29362725 0.82 CTSL (0.49) CTSKCTSBCTSSCTSL

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116438160-A Carbamoyl compounds for the treatment of viral infections 豪夫迈·罗氏有限公司 2023-07-14 — — CN disclosed
EP-4204393-A1 AMINOCARBAMOYL COMPOUNDS FOR THE TREATMENT OF VIRAL INFECTIONS F. Hoffmann-La Roche AG (CH) 2023-07-05 — — EP disclosed
WO-2022043374-A1 AMINOCARBAMOYL COMPOUNDS FOR THE TREATMENT OF VIRAL INFECTIONS F. HOFFMANN-LA ROCHE AG (CH) 2022-03-03 — — WO disclosed
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