SCHEMBL25242835

SCHEMBL25242835

NC(=O)CCNNC(=O)[C@H](CC1CCCCC1)NC(=O)OCc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 6/20 0.56
▸ CTSB P07858 3/20 0.56
▸ CTSS P25774 3/20 0.56
▸ CTSL P07711 3/20 0.56
▸ MMP1 P03956 1/20 0.51
▸ MMP2 P08253 1/20 0.51
▸ MMP3 P08254 1/20 0.51
▸ CASP1 P29466 1/20 0.48
▸ REN P00797 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 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
SCHEMBL25289620 1.00 CTSK (0.56) CTSKCTSBCTSSCTSLMMP1
SCHEMBL25287929 0.99 CTSK (0.55) CTSKCTSBCTSSCTSLMMP1
SCHEMBL25243246 0.99 CTSK (0.55) CTSKCTSBCTSSCTSLMMP1
SCHEMBL25248762 0.95 CTSK (0.49) CTSKCTSBCTSSCTSL
SCHEMBL25286900 0.95 CTSK (0.49) CTSKCTSBCTSSCTSL
SCHEMBL29362725 0.86 CTSL (0.49) CTSKCTSBCTSSCTSLMMP1
SCHEMBL25289369 0.84 CTSK (0.63) CTSKCTSBCTSSCTSLCASP1
SCHEMBL25286871 0.84 CTSK (0.63) CTSKCTSBCTSSCTSLCASP1
SCHEMBL25289368 0.84 CTSK (0.63) CTSKCTSBCTSSCTSLCASP1
SCHEMBL25247153 0.84 CTSK (0.63) CTSKCTSBCTSSCTSLCASP1

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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